(2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine

C16H17ClFN — CID 115483749

IUPAC(2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine
SMILESCc1cc(Cl)c(C(N)c2ccc(C)c(F)c2)cc1C
InChIInChI=1S/C16H17ClFN/c1-9-4-5-12(8-15(9)18)16(19)13-6-10(2)11(3)7-14(13)17/h4-8,16H,19H2,1-3H3
InChIKeyXWZVVTCQALYZAR-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.45
Rot. Bonds2

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

(2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine (PubChem CID 115483749) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is (2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine
PubChem CID115483749
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name(2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine
SMILESCc1cc(Cl)c(C(N)c2ccc(C)c(F)c2)cc1C
InChIInChI=1S/C16H17ClFN/c1-9-4-5-12(8-15(9)18)16(19)13-6-10(2)11(3)7-14(13)17/h4-8,16H,19H2,1-3H3
InChIKeyXWZVVTCQALYZAR-UHFFFAOYSA-N
XLogP4.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-3-fluorophenyl)methanamine
CID 107998851
(2-chloro-5-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 105394677
(4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107996089
(3-bromo-4-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
CID 115483674
(2-chloro-4,5-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115483792
(2-chloro-4-fluoro-5-methylphenyl)-(3-chlorophenyl)methanamine
CID 81045120
(3-bromophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
CID 81045269
(2-chloro-4,5-dimethylphenyl)-(3,5-dimethylphenyl)methanamine
CID 115483715
(2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 115483649
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 79746385
(4-chloro-3-methylphenyl)-(2-fluorophenyl)methanamine
CID 115828038
(3-fluoro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43109404

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine?
The IUPAC name of (2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine (CID 115483749) is (2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine.
What is the SMILES notation for (2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine?
The canonical SMILES for (2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine is Cc1cc(Cl)c(C(N)c2ccc(C)c(F)c2)cc1C.
What is the InChIKey of (2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine?
The InChIKey is XWZVVTCQALYZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-9-4-5-12(8-15(9)18)16(19)13-6-10(2)11(3)7-14(13)17/h4-8,16H,19H2,1-3H3.
What are the key properties of (2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine?
(2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine has a molecular weight of 277.77 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine is sourced from PubChem (CID 115483749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).