1-[4-(4-methylphenyl)thiophen-2-yl]propan-2-amine

C14H17NS — CID 131608803

IUPAC1-[4-(4-methylphenyl)thiophen-2-yl]propan-2-amine
SMILESCc1ccc(-c2csc(CC(C)N)c2)cc1
InChIInChI=1S/C14H17NS/c1-10-3-5-12(6-4-10)13-8-14(16-9-13)7-11(2)15/h3-6,8-9,11H,7,15H2,1-2H3
InChIKeyFVYPTNIZPLVBCZ-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.61
Rot. Bonds3

About 1-[4-(4-methylphenyl)thiophen-2-yl]propan-2-amine

1-[4-(4-methylphenyl)thiophen-2-yl]propan-2-amine (PubChem CID 131608803) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 1-[4-(4-methylphenyl)thiophen-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(4-methylphenyl)thiophen-2-yl]propan-2-amine
PubChem CID131608803
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name1-[4-(4-methylphenyl)thiophen-2-yl]propan-2-amine
SMILESCc1ccc(-c2csc(CC(C)N)c2)cc1
InChIInChI=1S/C14H17NS/c1-10-3-5-12(6-4-10)13-8-14(16-9-13)7-11(2)15/h3-6,8-9,11H,7,15H2,1-2H3
InChIKeyFVYPTNIZPLVBCZ-UHFFFAOYSA-N
XLogP3.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(4-methylphenyl)thiophen-2-yl]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

(2R)-1-(4-methylthiophen-2-yl)propan-2-amine
CID 18656689
2-methyl-4-(4-methylphenyl)thiophene
CID 59707564
2-chloro-4-(4-methylphenyl)thiophene
CID 13237968
1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine
CID 62653041
(2R)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 18656698
1-(1,3-thiazol-5-yl)propan-2-amine
CID 60748054
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
[4-(4-methylsulfonylphenyl)thiophen-2-yl]methanamine
CID 174311538
ethyl 2-methyl-3-(4-methylthiophen-2-yl)propanoate
CID 176838273
4-[4-(3-methylphenyl)phenyl]butan-2-amine
CID 82542141
(2R)-1-(5-phenylthiophen-2-yl)propan-2-amine
CID 18656702
2-amino-3-(4-thiophen-3-ylthiophen-2-yl)propanoic acid
CID 170879609

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylphenyl)thiophen-2-yl]propan-2-amine?
The IUPAC name of 1-[4-(4-methylphenyl)thiophen-2-yl]propan-2-amine (CID 131608803) is 1-[4-(4-methylphenyl)thiophen-2-yl]propan-2-amine.
What is the SMILES notation for 1-[4-(4-methylphenyl)thiophen-2-yl]propan-2-amine?
The canonical SMILES for 1-[4-(4-methylphenyl)thiophen-2-yl]propan-2-amine is Cc1ccc(-c2csc(CC(C)N)c2)cc1.
What is the InChIKey of 1-[4-(4-methylphenyl)thiophen-2-yl]propan-2-amine?
The InChIKey is FVYPTNIZPLVBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-10-3-5-12(6-4-10)13-8-14(16-9-13)7-11(2)15/h3-6,8-9,11H,7,15H2,1-2H3.
What are the key properties of 1-[4-(4-methylphenyl)thiophen-2-yl]propan-2-amine?
1-[4-(4-methylphenyl)thiophen-2-yl]propan-2-amine has a molecular weight of 231.36 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenyl)thiophen-2-yl]propan-2-amine is sourced from PubChem (CID 131608803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).