1-(3-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine

C17H22ClNS — CID 43694717

IUPAC1-(3-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine
SMILESCc1cc(C(C)NC(C)Cc2cccc(Cl)c2)c(C)s1
InChIInChI=1S/C17H22ClNS/c1-11(8-15-6-5-7-16(18)10-15)19-13(3)17-9-12(2)20-14(17)4/h5-7,9-11,13,19H,8H2,1-4H3
InChIKeyAQUYLRFZVHNKTH-UHFFFAOYSA-N
MW307.89 g/mol
LogP5.30
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine

1-(3-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine (PubChem CID 43694717) has the molecular formula C17H22ClNS and a molecular weight of 307.89 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine
PubChem CID43694717
Molecular FormulaC17H22ClNS
Molecular Weight307.89 g/mol
Exact Mass307.12
IUPAC Name1-(3-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine
SMILESCc1cc(C(C)NC(C)Cc2cccc(Cl)c2)c(C)s1
InChIInChI=1S/C17H22ClNS/c1-11(8-15-6-5-7-16(18)10-15)19-13(3)17-9-12(2)20-14(17)4/h5-7,9-11,13,19H,8H2,1-4H3
InChIKeyAQUYLRFZVHNKTH-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.89
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]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

1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine
CID 43694861
1-(3-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propan-2-amine
CID 43694819
1-(3-chlorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 115713565
N-[1-(3-chlorophenyl)propan-2-yl]-4-methylpentan-2-amine
CID 43694863
1-(3-chlorophenyl)-N-[1-(4-iodophenyl)ethyl]propan-2-amine
CID 43783490
1-(3-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine
CID 43694725
N-[1-(3-chlorophenyl)propan-2-yl]pentan-2-amine
CID 43694851
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine
CID 81366808
N-[(3,5-dichlorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 60790289
1-(3-chlorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine
CID 54881795
(2S)-2-[1-(3-chlorophenyl)propan-2-ylamino]propanoic acid
CID 122038931
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)propan-2-yl]propan-1-amine
CID 43694879

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine (CID 43694717) is 1-(3-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine is Cc1cc(C(C)NC(C)Cc2cccc(Cl)c2)c(C)s1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine?
The InChIKey is AQUYLRFZVHNKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNS/c1-11(8-15-6-5-7-16(18)10-15)19-13(3)17-9-12(2)20-14(17)4/h5-7,9-11,13,19H,8H2,1-4H3.
What are the key properties of 1-(3-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine?
1-(3-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine has a molecular weight of 307.89 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine is sourced from PubChem (CID 43694717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).