(2-chloro-5-fluorophenyl)-(2-methoxy-4-methylphenyl)methanamine

C15H15ClFNO — CID 106791354

IUPAC(2-chloro-5-fluorophenyl)-(2-methoxy-4-methylphenyl)methanamine
SMILESCOc1cc(C)ccc1C(N)c1cc(F)ccc1Cl
InChIInChI=1S/C15H15ClFNO/c1-9-3-5-11(14(7-9)19-2)15(18)12-8-10(17)4-6-13(12)16/h3-8,15H,18H2,1-2H3
InChIKeyVPFVJBGPPHMLDG-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.84
Rot. Bonds3

About (2-chloro-5-fluorophenyl)-(2-methoxy-4-methylphenyl)methanamine

(2-chloro-5-fluorophenyl)-(2-methoxy-4-methylphenyl)methanamine (PubChem CID 106791354) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-(2-methoxy-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-(2-methoxy-4-methylphenyl)methanamine
PubChem CID106791354
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name(2-chloro-5-fluorophenyl)-(2-methoxy-4-methylphenyl)methanamine
SMILESCOc1cc(C)ccc1C(N)c1cc(F)ccc1Cl
InChIInChI=1S/C15H15ClFNO/c1-9-3-5-11(14(7-9)19-2)15(18)12-8-10(17)4-6-13(12)16/h3-8,15H,18H2,1-2H3
InChIKeyVPFVJBGPPHMLDG-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

(2-chloro-5-fluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine
CID 105396862
(2,4-difluorophenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791413
(4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 115852897
(2-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 106861063
(2-bromo-5-methoxyphenyl)-(2-chloro-5-fluorophenyl)methanamine
CID 105396903
[(2-chloro-4-methylphenyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine
CID 106860165
(2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine
CID 105394907
(2,5-dichlorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43093792
2-(2,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791557
(3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63047550
[(4-fluorophenyl)-(2-methoxy-4-methylphenyl)methyl]hydrazine
CID 106793771
(1S)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanamine
CID 78938414

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-(2-methoxy-4-methylphenyl)methanamine?
The IUPAC name of (2-chloro-5-fluorophenyl)-(2-methoxy-4-methylphenyl)methanamine (CID 106791354) is (2-chloro-5-fluorophenyl)-(2-methoxy-4-methylphenyl)methanamine.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-(2-methoxy-4-methylphenyl)methanamine?
The canonical SMILES for (2-chloro-5-fluorophenyl)-(2-methoxy-4-methylphenyl)methanamine is COc1cc(C)ccc1C(N)c1cc(F)ccc1Cl.
What is the InChIKey of (2-chloro-5-fluorophenyl)-(2-methoxy-4-methylphenyl)methanamine?
The InChIKey is VPFVJBGPPHMLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-9-3-5-11(14(7-9)19-2)15(18)12-8-10(17)4-6-13(12)16/h3-8,15H,18H2,1-2H3.
What are the key properties of (2-chloro-5-fluorophenyl)-(2-methoxy-4-methylphenyl)methanamine?
(2-chloro-5-fluorophenyl)-(2-methoxy-4-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 (2-chloro-5-fluorophenyl)-(2-methoxy-4-methylphenyl)methanamine is sourced from PubChem (CID 106791354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).