1-(1-Benzothiophen-2-yl)cyclohexan-1-amine
Basic information
- CAS
143603-26-3- Standard SMILES
NC1(c2cc3ccccc3s2)CCCCC1- InChIKey
HYVMNAZTYJDWIZ-UHFFFAOYSA-N- Molecular formula
- C14H17NS
- Average molar mass
- 231.36 g/mol
- Monoisotopic mass
- 231.10817072
Names & identifiers
- Preferred name
- 1-(1-Benzothiophen-2-yl)cyclohexan-1-amine
- IUPAC
- 1-(1-benzothiophen-2-yl)cyclohexan-1-amine
Names & synonyms
1-(1-benzothiophen-2-yl)cyclohexan-1-amine143603-26-34JCE4LAL961-Benzo(b)thien-2-ylcyclohexanamineUNII-4JCE4LAL96Cyclohexanamine, 1-benzo(b)thien-2-yl-Cyclohexanamine, 1-benzo[b]thien-2-yl-CHEMBL18556NSC7081211-Benzo[b]thiophen-2-yl-cyclohexylamineSCHEMBL7095248DTXSID80327969
Show more names
HYVMNAZTYJDWIZ-UHFFFAOYSA-NBDBM50040190NSC-7081211-(1-Benzothien-2-yl)cyclohexanamine #PD179498Thionaphthene, 2-[1-aminocyclohex-1-yl]-EN300-1866421
Database identifiers
- CAS
143603-26-3- PubChem CID
- 398415
- DTXSID
DTXSID80327969- ChEMBL
CHEMBL18556- UNII
- 4JCE4LAL96
- Nikkaji
- J548.658K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
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Compound notes
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