5H-Dibenzo(a,d)cyclohepten-5-ol, 10,11-dihydro-5-(1-methyl-3-pyrrolidinylmethyl)-

HCID 49409

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Basic information

CAS: 67195-31-7
Standard SMILES: CN1CCC(CC2(O)c3ccccc3CCc3ccccc32)C1
InChIKey: POQRZDSBFZZLNC-UHFFFAOYSA-N
Molecular formula: C21H25NO
Average molar mass: 307.4 g/mol
Monoisotopic mass: 307.19361442

Names & identifiers

Preferred name: 5H-Dibenzo(a,d)cyclohepten-5-ol, 10,11-dihydro-5-(1-methyl-3-pyrrolidinylmethyl)-
IUPAC: 2-[(1-methylpyrrolidin-3-yl)methyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
English name: 10,11-Dihydro-5-[(1-methyl-3-pyrrolidinyl)methyl]-5H-dibenzo[a,d]cyclohepten-5-ol
Molecular formula: C21H25NO
Molecular weight: 307.43

Names & synonyms

BRN 154680310,11-Dihydro-5-(1-methyl-3-pyrrolidinylmethyl)-5H-dibenzo(a,d)cyclohepten-5-ol67195-31-75-21-04-00176 (Beilstein Handbook Reference)5H-Dibenzo(a,d)cyclohepten-5-ol, 10,11-dihydro-5-(1-methyl-3-pyrrolidinylmethyl)-RefChem:305521DTXSID909862235-[(1-Methylpyrrolidin-3-yl)methyl]-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ol10,11-Dihydro-5-[(1-methyl-3-pyrrolidinyl)methyl]-5H-dibenzo[a,d]cyclohepten-5-ol5H-Dibenzo[a,d]cyclohepten-5-ol, 10,11-dihydro-5-[(1-methyl-3-pyrrolidinyl)methyl]-

Database identifiers

CAS: 67195-31-7
PubChem CID: 49409
DTXSID: DTXSID90986223
Nikkaji: J72.831D

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 23
Formal charge: 0
Complexity: 385

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