2-[(5-chlorothiophen-2-yl)methyl]-4-phenylcyclohexan-1-amine

C17H20ClNS — CID 63401279

IUPAC2-[(5-chlorothiophen-2-yl)methyl]-4-phenylcyclohexan-1-amine
SMILESNC1CCC(c2ccccc2)CC1Cc1ccc(Cl)s1
InChIInChI=1S/C17H20ClNS/c18-17-9-7-15(20-17)11-14-10-13(6-8-16(14)19)12-4-2-1-3-5-12/h1-5,7,9,13-14,16H,6,8,10-11,19H2
InChIKeyLZTDXWHTNFLTKT-UHFFFAOYSA-N
MW305.87 g/mol
LogP4.86
Rot. Bonds3

About 2-[(5-chlorothiophen-2-yl)methyl]-4-phenylcyclohexan-1-amine

2-[(5-chlorothiophen-2-yl)methyl]-4-phenylcyclohexan-1-amine (PubChem CID 63401279) has the molecular formula C17H20ClNS and a molecular weight of 305.87 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl]-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl]-4-phenylcyclohexan-1-amine
PubChem CID63401279
Molecular FormulaC17H20ClNS
Molecular Weight305.87 g/mol
Exact Mass305.10
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl]-4-phenylcyclohexan-1-amine
SMILESNC1CCC(c2ccccc2)CC1Cc1ccc(Cl)s1
InChIInChI=1S/C17H20ClNS/c18-17-9-7-15(20-17)11-14-10-13(6-8-16(14)19)12-4-2-1-3-5-12/h1-5,7,9,13-14,16H,6,8,10-11,19H2
InChIKeyLZTDXWHTNFLTKT-UHFFFAOYSA-N
XLogP4.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.87
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-Chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanamine
CID 43114543
1-(5-Chlorothiophen-2-yl)-2-(4-fluorophenyl)ethanamine
CID 43114572
1-(5-Chlorothiophen-2-yl)-2-(2-fluorophenyl)ethanamine
CID 43114590
2-[(5-Chlorothiophen-2-yl)methyl]-3-(2-fluorophenyl)propan-1-amine
CID 55084080
1-(2-Chloro-4-fluorophenyl)-3-(5-chlorothiophen-2-yl)propan-2-amine
CID 55143795
1-(2-Chloro-6-fluorophenyl)-5-thiophen-2-ylpentan-2-amine
CID 61079021
N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(3-fluorophenyl)propyl]cyclopropanamine
CID 62514554
N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-fluorophenyl)propyl]cyclopropanamine
CID 62515110
N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propyl]cyclopropanamine
CID 62516083
2-[(5-Chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-amine
CID 62529381
2-[(5-Chlorothiophen-2-yl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62529799
1-(5-Chlorothiophen-2-yl)-3-(4-fluorophenyl)propan-2-amine
CID 62601233

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl]-4-phenylcyclohexan-1-amine?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl]-4-phenylcyclohexan-1-amine (CID 63401279) is 2-[(5-chlorothiophen-2-yl)methyl]-4-phenylcyclohexan-1-amine.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl]-4-phenylcyclohexan-1-amine?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl]-4-phenylcyclohexan-1-amine is NC1CCC(c2ccccc2)CC1Cc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl]-4-phenylcyclohexan-1-amine?
The InChIKey is LZTDXWHTNFLTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNS/c18-17-9-7-15(20-17)11-14-10-13(6-8-16(14)19)12-4-2-1-3-5-12/h1-5,7,9,13-14,16H,6,8,10-11,19H2.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl]-4-phenylcyclohexan-1-amine?
2-[(5-chlorothiophen-2-yl)methyl]-4-phenylcyclohexan-1-amine has a molecular weight of 305.87 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl]-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 63401279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).