N-[(3-chloro-1-benzothiophen-2-yl)methyl]hexan-2-amine

C15H20ClNS — CID 63477967

IUPACN-[(3-chloro-1-benzothiophen-2-yl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1sc2ccccc2c1Cl
InChIInChI=1S/C15H20ClNS/c1-3-4-7-11(2)17-10-14-15(16)12-8-5-6-9-13(12)18-14/h5-6,8-9,11,17H,3-4,7,10H2,1-2H3
InChIKeyDSIAIRIEPNYTOJ-UHFFFAOYSA-N
MW281.85 g/mol
LogP5.22
Rot. Bonds6

About N-[(3-chloro-1-benzothiophen-2-yl)methyl]hexan-2-amine

N-[(3-chloro-1-benzothiophen-2-yl)methyl]hexan-2-amine (PubChem CID 63477967) has the molecular formula C15H20ClNS and a molecular weight of 281.85 g/mol. Its IUPAC name is N-[(3-chloro-1-benzothiophen-2-yl)methyl]hexan-2-amine.

Molecular Properties

Compound NameN-[(3-chloro-1-benzothiophen-2-yl)methyl]hexan-2-amine
PubChem CID63477967
Molecular FormulaC15H20ClNS
Molecular Weight281.85 g/mol
Exact Mass281.10
IUPAC NameN-[(3-chloro-1-benzothiophen-2-yl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1sc2ccccc2c1Cl
InChIInChI=1S/C15H20ClNS/c1-3-4-7-11(2)17-10-14-15(16)12-8-5-6-9-13(12)18-14/h5-6,8-9,11,17H,3-4,7,10H2,1-2H3
InChIKeyDSIAIRIEPNYTOJ-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.85
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-chloro-1-benzothiophen-2-yl)methyl]hexan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-1-benzothiophen-2-yl)methyl]hexan-2-amine?
The IUPAC name of N-[(3-chloro-1-benzothiophen-2-yl)methyl]hexan-2-amine (CID 63477967) is N-[(3-chloro-1-benzothiophen-2-yl)methyl]hexan-2-amine.
What is the SMILES notation for N-[(3-chloro-1-benzothiophen-2-yl)methyl]hexan-2-amine?
The canonical SMILES for N-[(3-chloro-1-benzothiophen-2-yl)methyl]hexan-2-amine is CCCCC(C)NCc1sc2ccccc2c1Cl.
What is the InChIKey of N-[(3-chloro-1-benzothiophen-2-yl)methyl]hexan-2-amine?
The InChIKey is DSIAIRIEPNYTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNS/c1-3-4-7-11(2)17-10-14-15(16)12-8-5-6-9-13(12)18-14/h5-6,8-9,11,17H,3-4,7,10H2,1-2H3.
What are the key properties of N-[(3-chloro-1-benzothiophen-2-yl)methyl]hexan-2-amine?
N-[(3-chloro-1-benzothiophen-2-yl)methyl]hexan-2-amine has a molecular weight of 281.85 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-1-benzothiophen-2-yl)methyl]hexan-2-amine is sourced from PubChem (CID 63477967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).