[2-chloro-4-(4-methoxyphenyl)thiophen-3-yl]methanamine

C12H12ClNOS — CID 114748591

IUPAC[2-chloro-4-(4-methoxyphenyl)thiophen-3-yl]methanamine
SMILESCOc1ccc(-c2csc(Cl)c2CN)cc1
InChIInChI=1S/C12H12ClNOS/c1-15-9-4-2-8(3-5-9)11-7-16-12(13)10(11)6-14/h2-5,7H,6,14H2,1H3
InChIKeyQWIZHMVERPWTHC-UHFFFAOYSA-N
MW253.75 g/mol
LogP3.54
Rot. Bonds3

About [2-chloro-4-(4-methoxyphenyl)thiophen-3-yl]methanamine

[2-chloro-4-(4-methoxyphenyl)thiophen-3-yl]methanamine (PubChem CID 114748591) has the molecular formula C12H12ClNOS and a molecular weight of 253.75 g/mol. Its IUPAC name is [2-chloro-4-(4-methoxyphenyl)thiophen-3-yl]methanamine.

Molecular Properties

Compound Name[2-chloro-4-(4-methoxyphenyl)thiophen-3-yl]methanamine
PubChem CID114748591
Molecular FormulaC12H12ClNOS
Molecular Weight253.75 g/mol
Exact Mass253.03
IUPAC Name[2-chloro-4-(4-methoxyphenyl)thiophen-3-yl]methanamine
SMILESCOc1ccc(-c2csc(Cl)c2CN)cc1
InChIInChI=1S/C12H12ClNOS/c1-15-9-4-2-8(3-5-9)11-7-16-12(13)10(11)6-14/h2-5,7H,6,14H2,1H3
InChIKeyQWIZHMVERPWTHC-UHFFFAOYSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(4-methoxyphenyl)thiophen-3-amine
CID 114749329
[2-chloro-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine
CID 114748580
[2-chloro-5-(4-methoxyphenyl)-4-methylthiophen-3-yl]methanamine
CID 114748563
[4-(4-methoxyphenyl)-2-(trifluoromethyl)thiophen-3-yl]methanol
CID 134444737
3-amino-4-(4-methoxyphenyl)thiophene-2-carbonitrile
CID 82115667
N-[4-(4-chlorophenyl)-3-(hydroperoxymethyl)thiophen-2-yl]-4-methoxybenzamide
CID 88908101
[2-(4-methoxyphenyl)-4-(4-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 91926587
[2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-(4-chlorophenyl)methanone
CID 25265700
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine;dihydrochloride
CID 71779216
(4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine
CID 69469244
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
4-chloro-N-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine
CID 95507132

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(4-methoxyphenyl)thiophen-3-yl]methanamine?
The IUPAC name of [2-chloro-4-(4-methoxyphenyl)thiophen-3-yl]methanamine (CID 114748591) is [2-chloro-4-(4-methoxyphenyl)thiophen-3-yl]methanamine.
What is the SMILES notation for [2-chloro-4-(4-methoxyphenyl)thiophen-3-yl]methanamine?
The canonical SMILES for [2-chloro-4-(4-methoxyphenyl)thiophen-3-yl]methanamine is COc1ccc(-c2csc(Cl)c2CN)cc1.
What is the InChIKey of [2-chloro-4-(4-methoxyphenyl)thiophen-3-yl]methanamine?
The InChIKey is QWIZHMVERPWTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNOS/c1-15-9-4-2-8(3-5-9)11-7-16-12(13)10(11)6-14/h2-5,7H,6,14H2,1H3.
What are the key properties of [2-chloro-4-(4-methoxyphenyl)thiophen-3-yl]methanamine?
[2-chloro-4-(4-methoxyphenyl)thiophen-3-yl]methanamine has a molecular weight of 253.75 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(4-methoxyphenyl)thiophen-3-yl]methanamine is sourced from PubChem (CID 114748591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).