1-(2-chloro-4-methylphenyl)-3-thiophen-3-ylpropan-2-amine

C14H16ClNS — CID 106867617

IUPAC1-(2-chloro-4-methylphenyl)-3-thiophen-3-ylpropan-2-amine
SMILESCc1ccc(CC(N)Cc2ccsc2)c(Cl)c1
InChIInChI=1S/C14H16ClNS/c1-10-2-3-12(14(15)6-10)8-13(16)7-11-4-5-17-9-11/h2-6,9,13H,7-8,16H2,1H3
InChIKeyQBYIPRHMTFELMD-UHFFFAOYSA-N
MW265.81 g/mol
LogP3.82
Rot. Bonds4

About 1-(2-chloro-4-methylphenyl)-3-thiophen-3-ylpropan-2-amine

1-(2-chloro-4-methylphenyl)-3-thiophen-3-ylpropan-2-amine (PubChem CID 106867617) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-thiophen-3-ylpropan-2-amine
PubChem CID106867617
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name1-(2-chloro-4-methylphenyl)-3-thiophen-3-ylpropan-2-amine
SMILESCc1ccc(CC(N)Cc2ccsc2)c(Cl)c1
InChIInChI=1S/C14H16ClNS/c1-10-2-3-12(14(15)6-10)8-13(16)7-11-4-5-17-9-11/h2-6,9,13H,7-8,16H2,1H3
InChIKeyQBYIPRHMTFELMD-UHFFFAOYSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)propan-2-amine
CID 106868091
1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride
CID 162376791
1-(2,4-difluorophenyl)-3-thiophen-3-ylpropan-2-amine
CID 64559079
1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-amine
CID 106867257
1-(2-chloro-4-methylphenyl)-3-propan-2-yloxypropan-2-amine
CID 106867926
1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
CID 105181697
2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 106866944
5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine
CID 106870188
1-(2-chloro-4-methylphenyl)-3,4-dimethylpentan-2-amine
CID 106866564
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-thiophen-3-ylpropan-2-amine
CID 105158832
2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine
CID 106867685
1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-amine
CID 106867316

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-thiophen-3-ylpropan-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-thiophen-3-ylpropan-2-amine (CID 106867617) is 1-(2-chloro-4-methylphenyl)-3-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-thiophen-3-ylpropan-2-amine is Cc1ccc(CC(N)Cc2ccsc2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-thiophen-3-ylpropan-2-amine?
The InChIKey is QBYIPRHMTFELMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-10-2-3-12(14(15)6-10)8-13(16)7-11-4-5-17-9-11/h2-6,9,13H,7-8,16H2,1H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-thiophen-3-ylpropan-2-amine?
1-(2-chloro-4-methylphenyl)-3-thiophen-3-ylpropan-2-amine has a molecular weight of 265.81 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-3-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 106867617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).