N-[(3-chlorophenyl)methyl]thiophen-3-amine

C11H10ClNS — CID 66351019

IUPACN-[(3-chlorophenyl)methyl]thiophen-3-amine
SMILESClc1cccc(CNc2ccsc2)c1
InChIInChI=1S/C11H10ClNS/c12-10-3-1-2-9(6-10)7-13-11-4-5-14-8-11/h1-6,8,13H,7H2
InChIKeyQJZUSUGUBXBFKV-UHFFFAOYSA-N
MW223.73 g/mol
LogP4.01
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]thiophen-3-amine

N-[(3-chlorophenyl)methyl]thiophen-3-amine (PubChem CID 66351019) has the molecular formula C11H10ClNS and a molecular weight of 223.73 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]thiophen-3-amine
PubChem CID66351019
Molecular FormulaC11H10ClNS
Molecular Weight223.73 g/mol
Exact Mass223.02
IUPAC NameN-[(3-chlorophenyl)methyl]thiophen-3-amine
SMILESClc1cccc(CNc2ccsc2)c1
InChIInChI=1S/C11H10ClNS/c12-10-3-1-2-9(6-10)7-13-11-4-5-14-8-11/h1-6,8,13H,7H2
InChIKeyQJZUSUGUBXBFKV-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.73
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-chlorophenyl)methylamino]phenol
CID 18778399
N-[(3-chloro-4-methylphenyl)methyl]thiophen-3-amine
CID 106816916
N-[(3,4-dimethylphenyl)methyl]thiophen-3-amine
CID 66349713
N-[(4-chloro-2-fluorophenyl)methyl]thiophen-3-amine
CID 114842454
4-chloro-2-[(thiophen-3-ylamino)methyl]phenol
CID 66351861
N-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61222821
5-[(3-chlorophenyl)methylamino]-2-methylphenol
CID 18615765
4-chloro-N-[(3-chlorophenyl)methyl]-3-fluoroaniline
CID 43721513
N-[(4-propan-2-ylphenyl)methyl]thiophen-3-amine
CID 66353002
N-[(2-chloro-6-fluorophenyl)methyl]thiophen-3-amine
CID 66351470
4-bromo-N-[(3-chlorophenyl)methyl]-3-fluoroaniline
CID 65436509
N-[(4-phenylmethoxyphenyl)methyl]thiophen-3-amine
CID 66350789

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]thiophen-3-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]thiophen-3-amine (CID 66351019) is N-[(3-chlorophenyl)methyl]thiophen-3-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]thiophen-3-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]thiophen-3-amine is Clc1cccc(CNc2ccsc2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]thiophen-3-amine?
The InChIKey is QJZUSUGUBXBFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNS/c12-10-3-1-2-9(6-10)7-13-11-4-5-14-8-11/h1-6,8,13H,7H2.
What are the key properties of N-[(3-chlorophenyl)methyl]thiophen-3-amine?
N-[(3-chlorophenyl)methyl]thiophen-3-amine has a molecular weight of 223.73 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]thiophen-3-amine is sourced from PubChem (CID 66351019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).