1-(4-butylcyclohexyl)-2-(5-chlorothiophen-2-yl)ethanamine

C16H26ClNS — CID 115841569

IUPAC1-(4-butylcyclohexyl)-2-(5-chlorothiophen-2-yl)ethanamine
SMILESCCCCC1CCC(C(N)Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C16H26ClNS/c1-2-3-4-12-5-7-13(8-6-12)15(18)11-14-9-10-16(17)19-14/h9-10,12-13,15H,2-8,11,18H2,1H3
InChIKeyDWYHXOJMHDWYDL-UHFFFAOYSA-N
MW299.91 g/mol
LogP5.27
Rot. Bonds6

About 1-(4-butylcyclohexyl)-2-(5-chlorothiophen-2-yl)ethanamine

1-(4-butylcyclohexyl)-2-(5-chlorothiophen-2-yl)ethanamine (PubChem CID 115841569) has the molecular formula C16H26ClNS and a molecular weight of 299.91 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-2-(5-chlorothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-2-(5-chlorothiophen-2-yl)ethanamine
PubChem CID115841569
Molecular FormulaC16H26ClNS
Molecular Weight299.91 g/mol
Exact Mass299.15
IUPAC Name1-(4-butylcyclohexyl)-2-(5-chlorothiophen-2-yl)ethanamine
SMILESCCCCC1CCC(C(N)Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C16H26ClNS/c1-2-3-4-12-5-7-13(8-6-12)15(18)11-14-9-10-16(17)19-14/h9-10,12-13,15H,2-8,11,18H2,1H3
InChIKeyDWYHXOJMHDWYDL-UHFFFAOYSA-N
XLogP5.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.91
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-butylcyclohexyl)-2-(5-chlorothiophen-2-yl)ethanamine 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

2-(5-chlorothiophen-2-yl)-1-cyclopropylethanamine
CID 62602598
2-(5-chlorothiophen-2-yl)-1-cycloheptylethanamine
CID 65398933
1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63527651
1-(4-butylcyclohexyl)-2-(2-methylphenyl)ethanamine
CID 63528058
2-(5-chlorothiophen-2-yl)-1-(oxan-3-yl)ethanamine
CID 65331805
1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanamine
CID 115846799
2-(5-chlorothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine
CID 65393739
2-[(4-butylcyclohexyl)-chloromethyl]-5-ethylthiophene
CID 63430681
1-(4-butylcyclohexyl)-2-pyridin-3-ylethanamine
CID 105034554
2-(4-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanamine
CID 65425884
(4-butylcyclohexyl)-cyclopropylmethanamine
CID 104994185
1-(4-butylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030638

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-2-(5-chlorothiophen-2-yl)ethanamine?
The IUPAC name of 1-(4-butylcyclohexyl)-2-(5-chlorothiophen-2-yl)ethanamine (CID 115841569) is 1-(4-butylcyclohexyl)-2-(5-chlorothiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(4-butylcyclohexyl)-2-(5-chlorothiophen-2-yl)ethanamine?
The canonical SMILES for 1-(4-butylcyclohexyl)-2-(5-chlorothiophen-2-yl)ethanamine is CCCCC1CCC(C(N)Cc2ccc(Cl)s2)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-2-(5-chlorothiophen-2-yl)ethanamine?
The InChIKey is DWYHXOJMHDWYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNS/c1-2-3-4-12-5-7-13(8-6-12)15(18)11-14-9-10-16(17)19-14/h9-10,12-13,15H,2-8,11,18H2,1H3.
What are the key properties of 1-(4-butylcyclohexyl)-2-(5-chlorothiophen-2-yl)ethanamine?
1-(4-butylcyclohexyl)-2-(5-chlorothiophen-2-yl)ethanamine has a molecular weight of 299.91 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-2-(5-chlorothiophen-2-yl)ethanamine is sourced from PubChem (CID 115841569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).