(3-chloro-2-fluorophenyl)-(3-methylthiophen-2-yl)methanamine

C12H11ClFNS — CID 79988148

IUPAC(3-chloro-2-fluorophenyl)-(3-methylthiophen-2-yl)methanamine
SMILESCc1ccsc1C(N)c1cccc(Cl)c1F
InChIInChI=1S/C12H11ClFNS/c1-7-5-6-16-12(7)11(15)8-3-2-4-9(13)10(8)14/h2-6,11H,15H2,1H3
InChIKeyLZLZDWUWPAIQJZ-UHFFFAOYSA-N
MW255.75 g/mol
LogP3.90
Rot. Bonds2

About (3-chloro-2-fluorophenyl)-(3-methylthiophen-2-yl)methanamine

(3-chloro-2-fluorophenyl)-(3-methylthiophen-2-yl)methanamine (PubChem CID 79988148) has the molecular formula C12H11ClFNS and a molecular weight of 255.75 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-(3-methylthiophen-2-yl)methanamine
PubChem CID79988148
Molecular FormulaC12H11ClFNS
Molecular Weight255.75 g/mol
Exact Mass255.03
IUPAC Name(3-chloro-2-fluorophenyl)-(3-methylthiophen-2-yl)methanamine
SMILESCc1ccsc1C(N)c1cccc(Cl)c1F
InChIInChI=1S/C12H11ClFNS/c1-7-5-6-16-12(7)11(15)8-3-2-4-9(13)10(8)14/h2-6,11H,15H2,1H3
InChIKeyLZLZDWUWPAIQJZ-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-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513399
(3-chloro-2-fluorophenyl)-(2,3-dimethylphenyl)methanamine
CID 64713808
(S)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethanamine
CID 131296076
(3-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 64712292
(2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanamine
CID 43464212
1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 53395655
(1S)-1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 71074536
(3-methylthiophen-2-yl)-quinolin-8-ylmethanamine
CID 113230034
(3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808026
3-[amino-(3-methylthiophen-2-yl)methyl]aniline
CID 116936643
(3-chloro-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81430281
(3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanamine
CID 80644112

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of (3-chloro-2-fluorophenyl)-(3-methylthiophen-2-yl)methanamine (CID 79988148) is (3-chloro-2-fluorophenyl)-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for (3-chloro-2-fluorophenyl)-(3-methylthiophen-2-yl)methanamine is Cc1ccsc1C(N)c1cccc(Cl)c1F.
What is the InChIKey of (3-chloro-2-fluorophenyl)-(3-methylthiophen-2-yl)methanamine?
The InChIKey is LZLZDWUWPAIQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNS/c1-7-5-6-16-12(7)11(15)8-3-2-4-9(13)10(8)14/h2-6,11H,15H2,1H3.
What are the key properties of (3-chloro-2-fluorophenyl)-(3-methylthiophen-2-yl)methanamine?
(3-chloro-2-fluorophenyl)-(3-methylthiophen-2-yl)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-chloro-2-fluorophenyl)-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 79988148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).