4-chloro-3-methoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline

C15H18ClNOS — CID 107621215

IUPAC4-chloro-3-methoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
SMILESCOc1cc(NC(c2cccs2)C(C)C)ccc1Cl
InChIInChI=1S/C15H18ClNOS/c1-10(2)15(14-5-4-8-19-14)17-11-6-7-12(16)13(9-11)18-3/h4-10,15,17H,1-3H3
InChIKeyKDVWJNARTVPUJU-UHFFFAOYSA-N
MW295.84 g/mol
LogP5.22
Rot. Bonds5

About 4-chloro-3-methoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline

4-chloro-3-methoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline (PubChem CID 107621215) has the molecular formula C15H18ClNOS and a molecular weight of 295.84 g/mol. Its IUPAC name is 4-chloro-3-methoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline.

Molecular Properties

Compound Name4-chloro-3-methoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
PubChem CID107621215
Molecular FormulaC15H18ClNOS
Molecular Weight295.84 g/mol
Exact Mass295.08
IUPAC Name4-chloro-3-methoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
SMILESCOc1cc(NC(c2cccs2)C(C)C)ccc1Cl
InChIInChI=1S/C15H18ClNOS/c1-10(2)15(14-5-4-8-19-14)17-11-6-7-12(16)13(9-11)18-3/h4-10,15,17H,1-3H3
InChIKeyKDVWJNARTVPUJU-UHFFFAOYSA-N
XLogP5.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.84
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43760000
4-chloro-N-(dithiophen-2-ylmethyl)-3-methoxyaniline
CID 107621004
4-chloro-3-methoxy-N-(3-methylbutan-2-yl)aniline
CID 107270569
3-chloro-4-methoxy-N-(1-thiophen-2-ylethyl)aniline
CID 43191617
2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65469347
4-chloro-3-methoxy-N-(1-phenylethyl)aniline
CID 107266476
2-methoxy-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43761105
4-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propoxybenzene-1,4-diamine
CID 63675669
N-[1-(5-bromothiophen-2-yl)ethyl]-4-chloro-3-methoxyaniline
CID 107621272
2-chloro-6-methoxy-4-[[[(1S)-2-methyl-1-thiophen-2-ylpropyl]amino]methyl]phenol
CID 41099275
(S)-(4-chloro-3-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171211135
4-bromo-3-fluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65437692

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The IUPAC name of 4-chloro-3-methoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline (CID 107621215) is 4-chloro-3-methoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline.
What is the SMILES notation for 4-chloro-3-methoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The canonical SMILES for 4-chloro-3-methoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline is COc1cc(NC(c2cccs2)C(C)C)ccc1Cl.
What is the InChIKey of 4-chloro-3-methoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The InChIKey is KDVWJNARTVPUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-10(2)15(14-5-4-8-19-14)17-11-6-7-12(16)13(9-11)18-3/h4-10,15,17H,1-3H3.
What are the key properties of 4-chloro-3-methoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
4-chloro-3-methoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline has a molecular weight of 295.84 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline is sourced from PubChem (CID 107621215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).