(R)-(2-chloro-6-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine

C12H11ClFNS — CID 171229302

IUPAC(R)-(2-chloro-6-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine
SMILESCc1ccc(F)c([C@@H](N)c2cccs2)c1Cl
InChIInChI=1S/C12H11ClFNS/c1-7-4-5-8(14)10(11(7)13)12(15)9-3-2-6-16-9/h2-6,12H,15H2,1H3/t12-/m0/s1
InChIKeyZPLGUVINJDBTPL-LBPRGKRZSA-N
MW255.75 g/mol
LogP3.90
Rot. Bonds2

About (R)-(2-chloro-6-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine

(R)-(2-chloro-6-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine (PubChem CID 171229302) has the molecular formula C12H11ClFNS and a molecular weight of 255.75 g/mol. Its IUPAC name is (R)-(2-chloro-6-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(R)-(2-chloro-6-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine
PubChem CID171229302
Molecular FormulaC12H11ClFNS
Molecular Weight255.75 g/mol
Exact Mass255.03
IUPAC Name(R)-(2-chloro-6-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine
SMILESCc1ccc(F)c([C@@H](N)c2cccs2)c1Cl
InChIInChI=1S/C12H11ClFNS/c1-7-4-5-8(14)10(11(7)13)12(15)9-3-2-6-16-9/h2-6,12H,15H2,1H3/t12-/m0/s1
InChIKeyZPLGUVINJDBTPL-LBPRGKRZSA-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

(2-chloro-6-fluorophenyl)-thiophen-2-ylmethanamine
CID 43186711
(R)-(2,3-difluoro-4-methylphenyl)-thiophen-2-ylmethanamine
CID 131300822
(S)-(2-chloro-3-fluorophenyl)-thiophen-2-ylmethanamine
CID 171203052
2-[(S)-amino(thiophen-2-yl)methyl]-6-bromo-3-fluorophenol
CID 131523204
(R)-thiophen-2-yl-(2,3,6-trichlorophenyl)methanamine;hydrochloride
CID 171232400
(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171223227
(S)-(2,6-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171197939
(R)-(4-bromo-2,6-difluorophenyl)-thiophen-2-ylmethanamine
CID 131608140
(2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetic acid
CID 66512428
(2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)ethanol;hydrochloride
CID 171209714
(1R)-1-(2-chloro-6-fluoro-3-methylphenyl)-3,3-difluoropropan-1-amine
CID 131400437
6-amino-2-[(R)-amino(thiophen-2-yl)methyl]-3-methylphenol;hydrochloride
CID 171253592

Frequently Asked Questions

What is the IUPAC name of (R)-(2-chloro-6-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine?
The IUPAC name of (R)-(2-chloro-6-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine (CID 171229302) is (R)-(2-chloro-6-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (R)-(2-chloro-6-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine?
The canonical SMILES for (R)-(2-chloro-6-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine is Cc1ccc(F)c([C@@H](N)c2cccs2)c1Cl.
What is the InChIKey of (R)-(2-chloro-6-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine?
The InChIKey is ZPLGUVINJDBTPL-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H11ClFNS/c1-7-4-5-8(14)10(11(7)13)12(15)9-3-2-6-16-9/h2-6,12H,15H2,1H3/t12-/m0/s1.
What are the key properties of (R)-(2-chloro-6-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine?
(R)-(2-chloro-6-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine 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 (R)-(2-chloro-6-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 171229302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).