(5-chloro-4-methylthiophen-2-yl)-(4-fluorophenyl)methanamine

C12H11ClFNS — CID 102763514

IUPAC(5-chloro-4-methylthiophen-2-yl)-(4-fluorophenyl)methanamine
SMILESCc1cc(C(N)c2ccc(F)cc2)sc1Cl
InChIInChI=1S/C12H11ClFNS/c1-7-6-10(16-12(7)13)11(15)8-2-4-9(14)5-3-8/h2-6,11H,15H2,1H3
InChIKeyJGKUSYRSCMIAPW-UHFFFAOYSA-N
MW255.75 g/mol
LogP3.90
Rot. Bonds2

About (5-chloro-4-methylthiophen-2-yl)-(4-fluorophenyl)methanamine

(5-chloro-4-methylthiophen-2-yl)-(4-fluorophenyl)methanamine (PubChem CID 102763514) has the molecular formula C12H11ClFNS and a molecular weight of 255.75 g/mol. Its IUPAC name is (5-chloro-4-methylthiophen-2-yl)-(4-fluorophenyl)methanamine.

Molecular Properties

Compound Name(5-chloro-4-methylthiophen-2-yl)-(4-fluorophenyl)methanamine
PubChem CID102763514
Molecular FormulaC12H11ClFNS
Molecular Weight255.75 g/mol
Exact Mass255.03
IUPAC Name(5-chloro-4-methylthiophen-2-yl)-(4-fluorophenyl)methanamine
SMILESCc1cc(C(N)c2ccc(F)cc2)sc1Cl
InChIInChI=1S/C12H11ClFNS/c1-7-6-10(16-12(7)13)11(15)8-2-4-9(14)5-3-8/h2-6,11H,15H2,1H3
InChIKeyJGKUSYRSCMIAPW-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

(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 102763507
(5-chloro-4-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine
CID 102763534
(3-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine
CID 107950955
(5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanamine
CID 102763371
(5-chloro-4-methylthiophen-2-yl)-(3,5-dibromophenyl)methanamine
CID 114023515
(3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine
CID 102763420
2-chloro-5-[chloro-(4-fluoro-3-methylphenyl)methyl]-3-methylthiophene
CID 102764820
(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 102764444
(3-chloro-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol
CID 102764385
bis(4-fluorophenyl)methanamine
CID 10955039
(4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine
CID 102828019
5-[bromo-(4-propan-2-ylphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764996

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(4-fluorophenyl)methanamine?
The IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(4-fluorophenyl)methanamine (CID 102763514) is (5-chloro-4-methylthiophen-2-yl)-(4-fluorophenyl)methanamine.
What is the SMILES notation for (5-chloro-4-methylthiophen-2-yl)-(4-fluorophenyl)methanamine?
The canonical SMILES for (5-chloro-4-methylthiophen-2-yl)-(4-fluorophenyl)methanamine is Cc1cc(C(N)c2ccc(F)cc2)sc1Cl.
What is the InChIKey of (5-chloro-4-methylthiophen-2-yl)-(4-fluorophenyl)methanamine?
The InChIKey is JGKUSYRSCMIAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNS/c1-7-6-10(16-12(7)13)11(15)8-2-4-9(14)5-3-8/h2-6,11H,15H2,1H3.
What are the key properties of (5-chloro-4-methylthiophen-2-yl)-(4-fluorophenyl)methanamine?
(5-chloro-4-methylthiophen-2-yl)-(4-fluorophenyl)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 (5-chloro-4-methylthiophen-2-yl)-(4-fluorophenyl)methanamine is sourced from PubChem (CID 102763514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).