(5-chloro-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine

C15H15ClFNO — CID 82883361

IUPAC(5-chloro-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(Cl)ccc2C)cc1F
InChIInChI=1S/C15H15ClFNO/c1-9-3-5-11(16)8-12(9)15(18)10-4-6-14(19-2)13(17)7-10/h3-8,15H,18H2,1-2H3
InChIKeyMXQTZZRKXKGVEP-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.84
Rot. Bonds3

About (5-chloro-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine

(5-chloro-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine (PubChem CID 82883361) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
PubChem CID82883361
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name(5-chloro-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(Cl)ccc2C)cc1F
InChIInChI=1S/C15H15ClFNO/c1-9-3-5-11(16)8-12(9)15(18)10-4-6-14(19-2)13(17)7-10/h3-8,15H,18H2,1-2H3
InChIKeyMXQTZZRKXKGVEP-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

(2,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474122
(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 82814367
(5-chloro-2-methylphenyl)-(4-methoxyphenyl)methanamine
CID 79016093
(3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63047550
(4-bromo-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 104545787
(4-fluoro-3-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 115851839
(5-chloro-2-methylphenyl)-(4-chlorophenyl)methanamine
CID 79016195
(3-fluoro-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 62505966
(3-bromo-4-methoxyphenyl)-(5-chloro-2-fluorophenyl)methanamine
CID 43131063
(5-chloro-2-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024991
(3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine
CID 43131038
(4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 106877521

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine?
The IUPAC name of (5-chloro-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine (CID 82883361) is (5-chloro-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (5-chloro-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine?
The canonical SMILES for (5-chloro-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine is COc1ccc(C(N)c2cc(Cl)ccc2C)cc1F.
What is the InChIKey of (5-chloro-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine?
The InChIKey is MXQTZZRKXKGVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-9-3-5-11(16)8-12(9)15(18)10-4-6-14(19-2)13(17)7-10/h3-8,15H,18H2,1-2H3.
What are the key properties of (5-chloro-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine?
(5-chloro-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)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 (5-chloro-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 82883361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).