1-(2-chlorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine

C15H18ClNS — CID 62089455

IUPAC1-(2-chlorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine
SMILESCC(Cc1ccccc1Cl)NC(C)c1ccsc1
InChIInChI=1S/C15H18ClNS/c1-11(9-13-5-3-4-6-15(13)16)17-12(2)14-7-8-18-10-14/h3-8,10-12,17H,9H2,1-2H3
InChIKeyPUWHTJWXYFUBCO-UHFFFAOYSA-N
MW279.84 g/mol
LogP4.68
Rot. Bonds5

About 1-(2-chlorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine

1-(2-chlorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine (PubChem CID 62089455) has the molecular formula C15H18ClNS and a molecular weight of 279.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine
PubChem CID62089455
Molecular FormulaC15H18ClNS
Molecular Weight279.84 g/mol
Exact Mass279.08
IUPAC Name1-(2-chlorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine
SMILESCC(Cc1ccccc1Cl)NC(C)c1ccsc1
InChIInChI=1S/C15H18ClNS/c1-11(9-13-5-3-4-6-15(13)16)17-12(2)14-7-8-18-10-14/h3-8,10-12,17H,9H2,1-2H3
InChIKeyPUWHTJWXYFUBCO-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.84
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chlorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-chlorophenyl)ethyl]-1-thiophen-3-ylethanamine
CID 55032423
1-(2-chlorophenyl)-N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 43677542
1-(2-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine
CID 43677459
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
(2R)-1-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 175732345
N-(1-thiophen-3-ylethyl)pent-4-yn-2-amine
CID 115725339
1-(4-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine
CID 63008178
3-(1-thiophen-3-ylethylamino)butan-1-ol
CID 81338166
N-[1-(2-chlorophenyl)propan-2-yl]-1,1-difluoropropan-2-amine
CID 102868324
1-[(2-chlorophenyl)methyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine
CID 111703099
4-methylsulfanyl-N-(1-thiophen-3-ylethyl)butan-2-amine
CID 115722040
1-(2-chlorophenyl)-N-ethylpropan-2-amine
CID 43677539

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine (CID 62089455) is 1-(2-chlorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine is CC(Cc1ccccc1Cl)NC(C)c1ccsc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine?
The InChIKey is PUWHTJWXYFUBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNS/c1-11(9-13-5-3-4-6-15(13)16)17-12(2)14-7-8-18-10-14/h3-8,10-12,17H,9H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine?
1-(2-chlorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine has a molecular weight of 279.84 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine is sourced from PubChem (CID 62089455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).