(4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine

C15H15ClFNO — CID 115852897

IUPAC(4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
SMILESCOc1cc(Cl)ccc1C(N)c1cc(C)ccc1F
InChIInChI=1S/C15H15ClFNO/c1-9-3-6-13(17)12(7-9)15(18)11-5-4-10(16)8-14(11)19-2/h3-8,15H,18H2,1-2H3
InChIKeyKHOFSHGSGAKAGI-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.84
Rot. Bonds3

About (4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine

(4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine (PubChem CID 115852897) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is (4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
PubChem CID115852897
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name(4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
SMILESCOc1cc(Cl)ccc1C(N)c1cc(C)ccc1F
InChIInChI=1S/C15H15ClFNO/c1-9-3-6-13(17)12(7-9)15(18)11-5-4-10(16)8-14(11)19-2/h3-8,15H,18H2,1-2H3
InChIKeyKHOFSHGSGAKAGI-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,5-dimethoxy-2-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62514648
(4-chloro-2-methoxyphenyl)-(3-fluoro-5-methylphenyl)methanamine
CID 105016596
(4-bromo-2,5-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 105056543
(2-fluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032758
(2-chloro-5-fluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine
CID 105396862
(2-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 106861063
(4-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanamine
CID 115862069
(2-chloro-5-fluorophenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791354
(2,4-difluorophenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791413
(4-chloro-2-methoxyphenyl)-(3,5-difluorophenyl)methanamine
CID 115851745
(4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62865509
(3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62514449

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine?
The IUPAC name of (4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine (CID 115852897) is (4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine.
What is the SMILES notation for (4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine?
The canonical SMILES for (4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine is COc1cc(Cl)ccc1C(N)c1cc(C)ccc1F.
What is the InChIKey of (4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine?
The InChIKey is KHOFSHGSGAKAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-9-3-6-13(17)12(7-9)15(18)11-5-4-10(16)8-14(11)19-2/h3-8,15H,18H2,1-2H3.
What are the key properties of (4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine?
(4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine has a molecular weight of 279.74 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine is sourced from PubChem (CID 115852897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).