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

C12H11ClFNOS — CID 105397471

IUPAC(2-chloro-5-fluorophenyl)-(4-methoxythiophen-2-yl)methanamine
SMILESCOc1csc(C(N)c2cc(F)ccc2Cl)c1
InChIInChI=1S/C12H11ClFNOS/c1-16-8-5-11(17-6-8)12(15)9-4-7(14)2-3-10(9)13/h2-6,12H,15H2,1H3
InChIKeyIYZVTPWWMUBYKW-UHFFFAOYSA-N
MW271.74 g/mol
LogP3.60
Rot. Bonds3

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

(2-chloro-5-fluorophenyl)-(4-methoxythiophen-2-yl)methanamine (PubChem CID 105397471) has the molecular formula C12H11ClFNOS and a molecular weight of 271.74 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-(4-methoxythiophen-2-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-(4-methoxythiophen-2-yl)methanamine
PubChem CID105397471
Molecular FormulaC12H11ClFNOS
Molecular Weight271.74 g/mol
Exact Mass271.02
IUPAC Name(2-chloro-5-fluorophenyl)-(4-methoxythiophen-2-yl)methanamine
SMILESCOc1csc(C(N)c2cc(F)ccc2Cl)c1
InChIInChI=1S/C12H11ClFNOS/c1-16-8-5-11(17-6-8)12(15)9-4-7(14)2-3-10(9)13/h2-6,12H,15H2,1H3
InChIKeyIYZVTPWWMUBYKW-UHFFFAOYSA-N
XLogP3.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxythiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 81127367
(2-bromo-5-methoxyphenyl)-(2-chloro-5-fluorophenyl)methanamine
CID 105396903
(2,6-difluoro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methanamine
CID 81126677
[2,4-di(propan-2-yl)phenyl]-(4-methoxythiophen-2-yl)methanamine
CID 81121689
(4,5-dimethoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanamine
CID 81127508
[(4-fluoro-2-methylphenyl)-(4-methoxythiophen-2-yl)methyl]hydrazine
CID 105302541
(2-chloro-5-fluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine
CID 105396862
(2-chloro-5-fluorophenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791354
1-(2-chloro-4,5-difluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 107476237
(5-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43464539
[(2-chloro-5-fluorophenyl)-(4-methoxyphenyl)methyl]hydrazine
CID 105397726
(2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine
CID 105394907

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-(4-methoxythiophen-2-yl)methanamine?
The IUPAC name of (2-chloro-5-fluorophenyl)-(4-methoxythiophen-2-yl)methanamine (CID 105397471) is (2-chloro-5-fluorophenyl)-(4-methoxythiophen-2-yl)methanamine.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-(4-methoxythiophen-2-yl)methanamine?
The canonical SMILES for (2-chloro-5-fluorophenyl)-(4-methoxythiophen-2-yl)methanamine is COc1csc(C(N)c2cc(F)ccc2Cl)c1.
What is the InChIKey of (2-chloro-5-fluorophenyl)-(4-methoxythiophen-2-yl)methanamine?
The InChIKey is IYZVTPWWMUBYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNOS/c1-16-8-5-11(17-6-8)12(15)9-4-7(14)2-3-10(9)13/h2-6,12H,15H2,1H3.
What are the key properties of (2-chloro-5-fluorophenyl)-(4-methoxythiophen-2-yl)methanamine?
(2-chloro-5-fluorophenyl)-(4-methoxythiophen-2-yl)methanamine has a molecular weight of 271.74 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-(4-methoxythiophen-2-yl)methanamine is sourced from PubChem (CID 105397471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).