(2-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine

C16H17ClFNO2 — CID 106861063

IUPAC(2-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(F)c(C(N)c2ccc(C)cc2Cl)cc1OC
InChIInChI=1S/C16H17ClFNO2/c1-9-4-5-10(12(17)6-9)16(19)11-7-14(20-2)15(21-3)8-13(11)18/h4-8,16H,19H2,1-3H3
InChIKeyUQIFKIJHHNHZNL-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.85
Rot. Bonds4

About (2-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine

(2-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine (PubChem CID 106861063) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
PubChem CID106861063
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC Name(2-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(F)c(C(N)c2ccc(C)cc2Cl)cc1OC
InChIInChI=1S/C16H17ClFNO2/c1-9-4-5-10(12(17)6-9)16(19)11-7-14(20-2)15(21-3)8-13(11)18/h4-8,16H,19H2,1-3H3
InChIKeyUQIFKIJHHNHZNL-UHFFFAOYSA-N
XLogP3.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62865509
(2-chloro-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanamine
CID 106861105
(4-bromo-2-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine
CID 43330541
(4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 115852897
(2,4-difluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62867795
(3-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 81265393
(4,5-dimethoxy-2-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62514648
(4-bromo-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43805331
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanamine
CID 106861126
(4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 43626661
(2-chloro-5-fluorophenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791354
(2-fluoro-4,5-dimethoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048771

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
The IUPAC name of (2-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine (CID 106861063) is (2-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine.
What is the SMILES notation for (2-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
The canonical SMILES for (2-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine is COc1cc(F)c(C(N)c2ccc(C)cc2Cl)cc1OC.
What is the InChIKey of (2-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
The InChIKey is UQIFKIJHHNHZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c1-9-4-5-10(12(17)6-9)16(19)11-7-14(20-2)15(21-3)8-13(11)18/h4-8,16H,19H2,1-3H3.
What are the key properties of (2-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
(2-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine has a molecular weight of 309.77 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine is sourced from PubChem (CID 106861063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).