(2-chloro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine

C14H16ClNOS — CID 65237701

IUPAC(2-chloro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
SMILESCOc1ccc(C(N)c2cc(C)c(C)s2)c(Cl)c1
InChIInChI=1S/C14H16ClNOS/c1-8-6-13(18-9(8)2)14(16)11-5-4-10(17-3)7-12(11)15/h4-7,14H,16H2,1-3H3
InChIKeyGYYLZPFUHFNQAE-UHFFFAOYSA-N
MW281.81 g/mol
LogP4.08
Rot. Bonds3

About (2-chloro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine

(2-chloro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine (PubChem CID 65237701) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is (2-chloro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
PubChem CID65237701
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC Name(2-chloro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
SMILESCOc1ccc(C(N)c2cc(C)c(C)s2)c(Cl)c1
InChIInChI=1S/C14H16ClNOS/c1-8-6-13(18-9(8)2)14(16)11-5-4-10(17-3)7-12(11)15/h4-7,14H,16H2,1-3H3
InChIKeyGYYLZPFUHFNQAE-UHFFFAOYSA-N
XLogP4.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-chloro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-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

(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187
chloro-(2-chloro-4-methoxyphenyl)methanamine
CID 116947787
(5-bromothiophen-2-yl)-(4-methoxy-2-methylphenyl)methanamine
CID 43464453
(R)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethanamine
CID 93054120
(2-bromo-5-methylphenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 81109542
5-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-2,3-dimethylthiophene
CID 65238352
(2-chloro-4-methylphenyl)-(4-methoxyphenyl)methanamine
CID 106856981
(4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 115855292
(5-bromofuran-2-yl)-(2-chloro-4-methoxyphenyl)methanamine
CID 43561843
(3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 82875491
(3-chloro-4-iodophenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 103220223
(5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethoxyphenyl)methanamine
CID 80530686

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine?
The IUPAC name of (2-chloro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine (CID 65237701) is (2-chloro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine.
What is the SMILES notation for (2-chloro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine?
The canonical SMILES for (2-chloro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine is COc1ccc(C(N)c2cc(C)c(C)s2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine?
The InChIKey is GYYLZPFUHFNQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-8-6-13(18-9(8)2)14(16)11-5-4-10(17-3)7-12(11)15/h4-7,14H,16H2,1-3H3.
What are the key properties of (2-chloro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine?
(2-chloro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine has a molecular weight of 281.81 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine is sourced from PubChem (CID 65237701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).