N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-thiophen-2-ylmethanamine

C15H16ClNS — CID 60707258

IUPACN-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-thiophen-2-ylmethanamine
SMILESClc1cccc(CNC(c2cccs2)C2CC2)c1
InChIInChI=1S/C15H16ClNS/c16-13-4-1-3-11(9-13)10-17-15(12-6-7-12)14-5-2-8-18-14/h1-5,8-9,12,15,17H,6-7,10H2
InChIKeyJGVXVADSUBMHSA-UHFFFAOYSA-N
MW277.82 g/mol
LogP4.64
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-thiophen-2-ylmethanamine

N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-thiophen-2-ylmethanamine (PubChem CID 60707258) has the molecular formula C15H16ClNS and a molecular weight of 277.82 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-thiophen-2-ylmethanamine
PubChem CID60707258
Molecular FormulaC15H16ClNS
Molecular Weight277.82 g/mol
Exact Mass277.07
IUPAC NameN-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-thiophen-2-ylmethanamine
SMILESClc1cccc(CNC(c2cccs2)C2CC2)c1
InChIInChI=1S/C15H16ClNS/c16-13-4-1-3-11(9-13)10-17-15(12-6-7-12)14-5-2-8-18-14/h1-5,8-9,12,15,17H,6-7,10H2
InChIKeyJGVXVADSUBMHSA-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.82
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740592
N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-(4-methylphenyl)methanamine
CID 60713991
1-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine
CID 60707211
1-cyclopentyl-N-[(3,5-difluorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 103851306
4-[[[cyclopropyl(thiophen-2-yl)methyl]amino]methyl]benzoic acid
CID 122030123
N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
(1R)-N-[(3-chlorophenyl)methyl]-1-cyclobutylethanamine
CID 97321615
1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylmethanamine
CID 60713993
(1S)-N-[(3-chlorophenyl)methyl]-1-cycloheptylethanamine
CID 81388927
1-(4-chlorophenyl)-1-cyclopropyl-N-[(3-methylphenyl)methyl]methanamine
CID 43221859
(1S)-N-[(3-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398469
1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43740523

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-thiophen-2-ylmethanamine (CID 60707258) is N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-thiophen-2-ylmethanamine is Clc1cccc(CNC(c2cccs2)C2CC2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-thiophen-2-ylmethanamine?
The InChIKey is JGVXVADSUBMHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNS/c16-13-4-1-3-11(9-13)10-17-15(12-6-7-12)14-5-2-8-18-14/h1-5,8-9,12,15,17H,6-7,10H2.
What are the key properties of N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-thiophen-2-ylmethanamine?
N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-thiophen-2-ylmethanamine has a molecular weight of 277.82 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 60707258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).