3-(2-chloro-3,4-dimethoxyphenyl)-2-thiophen-2-ylpropan-1-amine

C15H18ClNO2S — CID 83975930

IUPAC3-(2-chloro-3,4-dimethoxyphenyl)-2-thiophen-2-ylpropan-1-amine
SMILESCOc1ccc(CC(CN)c2cccs2)c(Cl)c1OC
InChIInChI=1S/C15H18ClNO2S/c1-18-12-6-5-10(14(16)15(12)19-2)8-11(9-17)13-4-3-7-20-13/h3-7,11H,8-9,17H2,1-2H3
InChIKeyKTMCRGVIQPVRJM-UHFFFAOYSA-N
MW311.83 g/mol
LogP3.70
Rot. Bonds6

About 3-(2-chloro-3,4-dimethoxyphenyl)-2-thiophen-2-ylpropan-1-amine

3-(2-chloro-3,4-dimethoxyphenyl)-2-thiophen-2-ylpropan-1-amine (PubChem CID 83975930) has the molecular formula C15H18ClNO2S and a molecular weight of 311.83 g/mol. Its IUPAC name is 3-(2-chloro-3,4-dimethoxyphenyl)-2-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-3,4-dimethoxyphenyl)-2-thiophen-2-ylpropan-1-amine
PubChem CID83975930
Molecular FormulaC15H18ClNO2S
Molecular Weight311.83 g/mol
Exact Mass311.07
IUPAC Name3-(2-chloro-3,4-dimethoxyphenyl)-2-thiophen-2-ylpropan-1-amine
SMILESCOc1ccc(CC(CN)c2cccs2)c(Cl)c1OC
InChIInChI=1S/C15H18ClNO2S/c1-18-12-6-5-10(14(16)15(12)19-2)8-11(9-17)13-4-3-7-20-13/h3-7,11H,8-9,17H2,1-2H3
InChIKeyKTMCRGVIQPVRJM-UHFFFAOYSA-N
XLogP3.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-thiophen-2-ylpropan-1-amine
CID 83975945
amino 3-(2-chloro-3,4-dimethoxyphenyl)-2-methylpropanoate
CID 174797726
O-[(2-chloro-3,4-dimethoxyphenyl)methyl]hydroxylamine
CID 117310273
1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine
CID 63626727
3-amino-2-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65190060
N-(1-thiophen-2-ylethyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18090212
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 66783478
methyl 4-amino-3-(2-chloro-3,4-dimethoxyphenyl)butanoate
CID 66098501
2-(2-chloro-3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine
CID 63631314
(2S)-2-thiophen-2-ylpentan-1-amine
CID 54559295
2-(2,6-dichlorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine
CID 83975308
1-(2-chloro-3,4-dimethoxyphenyl)-N-ethoxymethanamine
CID 82710373

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3,4-dimethoxyphenyl)-2-thiophen-2-ylpropan-1-amine?
The IUPAC name of 3-(2-chloro-3,4-dimethoxyphenyl)-2-thiophen-2-ylpropan-1-amine (CID 83975930) is 3-(2-chloro-3,4-dimethoxyphenyl)-2-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2-chloro-3,4-dimethoxyphenyl)-2-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 3-(2-chloro-3,4-dimethoxyphenyl)-2-thiophen-2-ylpropan-1-amine is COc1ccc(CC(CN)c2cccs2)c(Cl)c1OC.
What is the InChIKey of 3-(2-chloro-3,4-dimethoxyphenyl)-2-thiophen-2-ylpropan-1-amine?
The InChIKey is KTMCRGVIQPVRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2S/c1-18-12-6-5-10(14(16)15(12)19-2)8-11(9-17)13-4-3-7-20-13/h3-7,11H,8-9,17H2,1-2H3.
What are the key properties of 3-(2-chloro-3,4-dimethoxyphenyl)-2-thiophen-2-ylpropan-1-amine?
3-(2-chloro-3,4-dimethoxyphenyl)-2-thiophen-2-ylpropan-1-amine has a molecular weight of 311.83 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3,4-dimethoxyphenyl)-2-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 83975930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).