(2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methanamine

C16H19NS — CID 114604077

IUPAC(2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methanamine
SMILESCc1cscc1C(N)c1ccccc1C1CCC1
InChIInChI=1S/C16H19NS/c1-11-9-18-10-15(11)16(17)14-8-3-2-7-13(14)12-5-4-6-12/h2-3,7-10,12,16H,4-6,17H2,1H3
InChIKeyIOTQELJIBNKMRC-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.37
Rot. Bonds3

About (2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methanamine

(2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methanamine (PubChem CID 114604077) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is (2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methanamine
PubChem CID114604077
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name(2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methanamine
SMILESCc1cscc1C(N)c1ccccc1C1CCC1
InChIInChI=1S/C16H19NS/c1-11-9-18-10-15(11)16(17)14-8-3-2-7-13(14)12-5-4-6-12/h2-3,7-10,12,16H,4-6,17H2,1H3
InChIKeyIOTQELJIBNKMRC-UHFFFAOYSA-N
XLogP4.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methanamine 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-[(2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine
CID 114604084
(2-cyclobutylphenyl)-(4-methylphenyl)methanamine
CID 114602558
(2-cyclobutylphenyl)-(1,3-thiazol-4-yl)methanamine
CID 114604148
1-benzothiophen-3-yl-(2-cyclobutylphenyl)methanamine
CID 105052203
(2-cyclobutylphenyl)-(2-fluoro-4-methylphenyl)methanamine
CID 105052284
(2-cyclobutylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 114602556
(2-cyclobutylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine
CID 107503001
(2-cyclobutylphenyl)-(1-methylcyclopropyl)methanamine
CID 114604111
(2-cyclobutylphenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791150
(2-cyclobutylphenyl)-pyridin-4-ylmethanamine
CID 114602569
(2-cyclobutylphenyl)-(2,4-dibromophenyl)methanamine
CID 107946938
(2-cyclobutylphenyl)-cyclopropylmethanamine
CID 114602603

Frequently Asked Questions

What is the IUPAC name of (2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methanamine?
The IUPAC name of (2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methanamine (CID 114604077) is (2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methanamine.
What is the SMILES notation for (2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methanamine?
The canonical SMILES for (2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methanamine is Cc1cscc1C(N)c1ccccc1C1CCC1.
What is the InChIKey of (2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methanamine?
The InChIKey is IOTQELJIBNKMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-11-9-18-10-15(11)16(17)14-8-3-2-7-13(14)12-5-4-6-12/h2-3,7-10,12,16H,4-6,17H2,1H3.
What are the key properties of (2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methanamine?
(2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methanamine has a molecular weight of 257.40 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 114604077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).