N-[(3-chloro-4-methylphenyl)methyl]thiophen-3-amine

C12H12ClNS — CID 106816916

IUPACN-[(3-chloro-4-methylphenyl)methyl]thiophen-3-amine
SMILESCc1ccc(CNc2ccsc2)cc1Cl
InChIInChI=1S/C12H12ClNS/c1-9-2-3-10(6-12(9)13)7-14-11-4-5-15-8-11/h2-6,8,14H,7H2,1H3
InChIKeyKQRJDWITWGELSF-UHFFFAOYSA-N
MW237.76 g/mol
LogP4.32
Rot. Bonds3

About N-[(3-chloro-4-methylphenyl)methyl]thiophen-3-amine

N-[(3-chloro-4-methylphenyl)methyl]thiophen-3-amine (PubChem CID 106816916) has the molecular formula C12H12ClNS and a molecular weight of 237.76 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]thiophen-3-amine
PubChem CID106816916
Molecular FormulaC12H12ClNS
Molecular Weight237.76 g/mol
Exact Mass237.04
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]thiophen-3-amine
SMILESCc1ccc(CNc2ccsc2)cc1Cl
InChIInChI=1S/C12H12ClNS/c1-9-2-3-10(6-12(9)13)7-14-11-4-5-15-8-11/h2-6,8,14H,7H2,1H3
InChIKeyKQRJDWITWGELSF-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.76
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]thiophen-3-amine
CID 66349713
N-[(3-chloro-4-methylphenyl)methyl]-4-methylaniline
CID 106816096
N-[(3-chlorophenyl)methyl]thiophen-3-amine
CID 66351019
N-[(4-propan-2-ylphenyl)methyl]thiophen-3-amine
CID 66353002
2,6-dimethyl-4-[(thiophen-3-ylamino)methyl]phenol
CID 66352322
N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethoxyaniline
CID 106816044
4-[(3-chloro-4-methylphenyl)methylamino]-2-methylphenol
CID 106817009
4-arsoroso-N-[(3-chloro-4-methylphenyl)methyl]aniline
CID 158255701
N-[(3-chloro-4-methylphenyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 106816343
N-[(3-chloro-4-methylphenyl)methyl]-2,4,6-trimethylaniline
CID 106816595
3-chloro-N-[(3,4-difluorophenyl)methyl]-4-methylaniline
CID 29045125
N-[(3-chloro-4-methylphenyl)methyl]-2-methylpropan-2-amine
CID 63195230

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]thiophen-3-amine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]thiophen-3-amine (CID 106816916) is N-[(3-chloro-4-methylphenyl)methyl]thiophen-3-amine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]thiophen-3-amine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]thiophen-3-amine is Cc1ccc(CNc2ccsc2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]thiophen-3-amine?
The InChIKey is KQRJDWITWGELSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNS/c1-9-2-3-10(6-12(9)13)7-14-11-4-5-15-8-11/h2-6,8,14H,7H2,1H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]thiophen-3-amine?
N-[(3-chloro-4-methylphenyl)methyl]thiophen-3-amine has a molecular weight of 237.76 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methyl]thiophen-3-amine is sourced from PubChem (CID 106816916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).