3-(4-methylphenyl)-N-(thiophen-3-ylmethyl)cyclobutan-1-amine

C16H19NS — CID 55174100

IUPAC3-(4-methylphenyl)-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
SMILESCc1ccc(C2CC(NCc3ccsc3)C2)cc1
InChIInChI=1S/C16H19NS/c1-12-2-4-14(5-3-12)15-8-16(9-15)17-10-13-6-7-18-11-13/h2-7,11,15-17H,8-10H2,1H3
InChIKeyLXCGIOCKYWYYBV-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.09
Rot. Bonds4

About 3-(4-methylphenyl)-N-(thiophen-3-ylmethyl)cyclobutan-1-amine

3-(4-methylphenyl)-N-(thiophen-3-ylmethyl)cyclobutan-1-amine (PubChem CID 55174100) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(thiophen-3-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
PubChem CID55174100
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name3-(4-methylphenyl)-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
SMILESCc1ccc(C2CC(NCc3ccsc3)C2)cc1
InChIInChI=1S/C16H19NS/c1-12-2-4-14(5-3-12)15-8-16(9-15)17-10-13-6-7-18-11-13/h2-7,11,15-17H,8-10H2,1H3
InChIKeyLXCGIOCKYWYYBV-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-methylphenyl)-N-(thiophen-3-ylmethyl)cyclobutan-1-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

3-(2-methylphenyl)-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
CID 63248251
N-[3-(4-methylphenyl)cyclobutyl]thiophen-3-amine
CID 66350147
3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
CID 62997224
3-[(2-methylpropan-2-yl)oxy]-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
CID 115970469
4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
CID 63247711
3-methylsulfanyl-N-(thiophen-3-ylmethyl)cyclopentan-1-amine
CID 115656335
N-butyl-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633076
N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633160
tert-butyl N-[3-(thiophen-3-ylmethylamino)cyclobutyl]carbamate
CID 80562080
N-(3-methylbutyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633229
(2S)-1-[[3-(4-methylphenyl)cyclobutyl]amino]propan-2-ol
CID 93252952
N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine
CID 63454059

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(thiophen-3-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-(4-methylphenyl)-N-(thiophen-3-ylmethyl)cyclobutan-1-amine (CID 55174100) is 3-(4-methylphenyl)-N-(thiophen-3-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-methylphenyl)-N-(thiophen-3-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-methylphenyl)-N-(thiophen-3-ylmethyl)cyclobutan-1-amine is Cc1ccc(C2CC(NCc3ccsc3)C2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(thiophen-3-ylmethyl)cyclobutan-1-amine?
The InChIKey is LXCGIOCKYWYYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-12-2-4-14(5-3-12)15-8-16(9-15)17-10-13-6-7-18-11-13/h2-7,11,15-17H,8-10H2,1H3.
What are the key properties of 3-(4-methylphenyl)-N-(thiophen-3-ylmethyl)cyclobutan-1-amine?
3-(4-methylphenyl)-N-(thiophen-3-ylmethyl)cyclobutan-1-amine has a molecular weight of 257.40 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(thiophen-3-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 55174100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).