N-[(4-chlorothiophen-2-yl)methyl]-2-ethylcyclohexan-1-amine

C13H20ClNS — CID 79419374

IUPACN-[(4-chlorothiophen-2-yl)methyl]-2-ethylcyclohexan-1-amine
SMILESCCC1CCCCC1NCc1cc(Cl)cs1
InChIInChI=1S/C13H20ClNS/c1-2-10-5-3-4-6-13(10)15-8-12-7-11(14)9-16-12/h7,9-10,13,15H,2-6,8H2,1H3
InChIKeyWUIZMYSCDCYDLE-UHFFFAOYSA-N
MW257.83 g/mol
LogP4.46
Rot. Bonds4

About N-[(4-chlorothiophen-2-yl)methyl]-2-ethylcyclohexan-1-amine

N-[(4-chlorothiophen-2-yl)methyl]-2-ethylcyclohexan-1-amine (PubChem CID 79419374) has the molecular formula C13H20ClNS and a molecular weight of 257.83 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)methyl]-2-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)methyl]-2-ethylcyclohexan-1-amine
PubChem CID79419374
Molecular FormulaC13H20ClNS
Molecular Weight257.83 g/mol
Exact Mass257.10
IUPAC NameN-[(4-chlorothiophen-2-yl)methyl]-2-ethylcyclohexan-1-amine
SMILESCCC1CCCCC1NCc1cc(Cl)cs1
InChIInChI=1S/C13H20ClNS/c1-2-10-5-3-4-6-13(10)15-8-12-7-11(14)9-16-12/h7,9-10,13,15H,2-6,8H2,1H3
InChIKeyWUIZMYSCDCYDLE-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.83
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-chlorothiophen-2-yl)methyl]-2-ethylcyclohexan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

[(4-Chlorophenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
CID 4868416
1-[(4-Chlorophenyl)-thiophen-2-ylmethyl]piperazine
CID 285511
2-Thiophenemethanamine, N-ethyl-alpha-(phenylmethyl)-, hydrochloride (1:1)
CID 3061989
N-((2-chlorophenyl)methyl)thiophene-3-ethylamine
CID 6454012
1-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 16192824
2-Thenylamine, alpha-benzyl-N-isopropyl-, hydrochloride
CID 3061991
2-Thenylamine, alpha-(m-chlorobenzyl)-N-isopropyl-, hydrochloride
CID 3061998
2-Thenylamine, alpha-(p-chlorobenzyl)-N-isopropyl-, hydrochloride
CID 3062002
N-Benzyl-2-(4-chlorophenyl)-1-(thiophen-2-yl)ethan-1-amine
CID 3062006
2-(4-Chlorophenyl)-N-ethyl-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3062045
2-(5-Chloro-2-thienyl)pyrrolidine
CID 4305829
N-((2-chlorophenyl)methyl)thiophene-2-ethylamine hydrochloride
CID 6454011

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-2-ethylcyclohexan-1-amine?
The IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-2-ethylcyclohexan-1-amine (CID 79419374) is N-[(4-chlorothiophen-2-yl)methyl]-2-ethylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)methyl]-2-ethylcyclohexan-1-amine?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)methyl]-2-ethylcyclohexan-1-amine is CCC1CCCCC1NCc1cc(Cl)cs1.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)methyl]-2-ethylcyclohexan-1-amine?
The InChIKey is WUIZMYSCDCYDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNS/c1-2-10-5-3-4-6-13(10)15-8-12-7-11(14)9-16-12/h7,9-10,13,15H,2-6,8H2,1H3.
What are the key properties of N-[(4-chlorothiophen-2-yl)methyl]-2-ethylcyclohexan-1-amine?
N-[(4-chlorothiophen-2-yl)methyl]-2-ethylcyclohexan-1-amine has a molecular weight of 257.83 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-2-yl)methyl]-2-ethylcyclohexan-1-amine is sourced from PubChem (CID 79419374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).