1-[Benzyl(methyl)amino]propan-2-ol

HCID 232619

Notes Reactions

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Basic information

CAS: 91339-81-0
Standard SMILES: CC(O)CN(C)Cc1ccccc1
InChIKey: WLQCOCGZDBXUME-UHFFFAOYSA-N
Molecular formula: C11H17NO
Average molar mass: 179.26 g/mol
Monoisotopic mass: 179.13101417

Names & identifiers

Preferred name: 1-[Benzyl(methyl)amino]propan-2-ol
IUPAC: 1-[benzyl(methyl)amino]propan-2-ol

Names & synonyms

1-[benzyl(methyl)amino]propan-2-ol91339-81-01-(Benzyl(methyl)amino)propan-2-olNSC30329SCHEMBL4530213SCHEMBL9197937DTXSID80283197WLQCOCGZDBXUME-UHFFFAOYSA-NMFCD11934862NSC-303291-[Methyl(phenylmethyl)amino]-2-propanolDB-375037

Show more names

(+/-)-1-[Benzyl(methyl)amino]propan-2-ol

Database identifiers

CAS: 91339-81-0
PubChem CID: 232619
DTXSID: DTXSID80283197
Nikkaji: J2.257.241E

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 132

Related reactions

4 records

New reaction record

HRID 282580As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 824468As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 954264As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1926894As productuspto-grants-2012_05

Compound notes

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