(3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine

C12H11ClFNS — CID 80529677

IUPAC(3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine
SMILESCc1cc(C(N)c2sccc2Cl)ccc1F
InChIInChI=1S/C12H11ClFNS/c1-7-6-8(2-3-10(7)14)11(15)12-9(13)4-5-16-12/h2-6,11H,15H2,1H3
InChIKeyHEHHFRBQZXUHRX-UHFFFAOYSA-N
MW255.75 g/mol
LogP3.90
Rot. Bonds2

About (3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine

(3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine (PubChem CID 80529677) has the molecular formula C12H11ClFNS and a molecular weight of 255.75 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine
PubChem CID80529677
Molecular FormulaC12H11ClFNS
Molecular Weight255.75 g/mol
Exact Mass255.03
IUPAC Name(3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine
SMILESCc1cc(C(N)c2sccc2Cl)ccc1F
InChIInChI=1S/C12H11ClFNS/c1-7-6-8(2-3-10(7)14)11(15)12-9(13)4-5-16-12/h2-6,11H,15H2,1H3
InChIKeyHEHHFRBQZXUHRX-UHFFFAOYSA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanamine
CID 80644112
(4-bromo-3-fluorophenyl)-(3-chlorothiophen-2-yl)methanamine
CID 80529738
N-[(3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 80529223
(4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 114025071
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 79746385
(4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62789476
3-chloro-2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]thiophene
CID 80640930
(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 80529980
(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 80529927
(3-chloro-4-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 55164032
(3-chlorothiophen-2-yl)-(3-ethylphenyl)methanamine
CID 105018799
(3-chlorothiophen-2-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 80644294

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine?
The IUPAC name of (3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine (CID 80529677) is (3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine?
The canonical SMILES for (3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine is Cc1cc(C(N)c2sccc2Cl)ccc1F.
What is the InChIKey of (3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine?
The InChIKey is HEHHFRBQZXUHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNS/c1-7-6-8(2-3-10(7)14)11(15)12-9(13)4-5-16-12/h2-6,11H,15H2,1H3.
What are the key properties of (3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine?
(3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine has a molecular weight of 255.75 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine is sourced from PubChem (CID 80529677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).