4-(2-methyl-1-benzothiophen-3-yl)cyclohexan-1-amine

C15H19NS — CID 116987473

IUPAC4-(2-methyl-1-benzothiophen-3-yl)cyclohexan-1-amine
SMILESCc1sc2ccccc2c1C1CCC(N)CC1
InChIInChI=1S/C15H19NS/c1-10-15(11-6-8-12(16)9-7-11)13-4-2-3-5-14(13)17-10/h2-5,11-12H,6-9,16H2,1H3
InChIKeyNBWXKGVWHDUBRW-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.19
Rot. Bonds1

About 4-(2-methyl-1-benzothiophen-3-yl)cyclohexan-1-amine

4-(2-methyl-1-benzothiophen-3-yl)cyclohexan-1-amine (PubChem CID 116987473) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 4-(2-methyl-1-benzothiophen-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methyl-1-benzothiophen-3-yl)cyclohexan-1-amine
PubChem CID116987473
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name4-(2-methyl-1-benzothiophen-3-yl)cyclohexan-1-amine
SMILESCc1sc2ccccc2c1C1CCC(N)CC1
InChIInChI=1S/C15H19NS/c1-10-15(11-6-8-12(16)9-7-11)13-4-2-3-5-14(13)17-10/h2-5,11-12H,6-9,16H2,1H3
InChIKeyNBWXKGVWHDUBRW-UHFFFAOYSA-N
XLogP4.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1-benzothiophen-3-yl)cyclohexan-1-amine?
The IUPAC name of 4-(2-methyl-1-benzothiophen-3-yl)cyclohexan-1-amine (CID 116987473) is 4-(2-methyl-1-benzothiophen-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(2-methyl-1-benzothiophen-3-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(2-methyl-1-benzothiophen-3-yl)cyclohexan-1-amine is Cc1sc2ccccc2c1C1CCC(N)CC1.
What is the InChIKey of 4-(2-methyl-1-benzothiophen-3-yl)cyclohexan-1-amine?
The InChIKey is NBWXKGVWHDUBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-10-15(11-6-8-12(16)9-7-11)13-4-2-3-5-14(13)17-10/h2-5,11-12H,6-9,16H2,1H3.
What are the key properties of 4-(2-methyl-1-benzothiophen-3-yl)cyclohexan-1-amine?
4-(2-methyl-1-benzothiophen-3-yl)cyclohexan-1-amine has a molecular weight of 245.39 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1-benzothiophen-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 116987473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).