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

C16H17ClFN — CID 81045582

IUPAC(2-chloro-4-fluoro-5-methylphenyl)-(2,4-dimethylphenyl)methanamine
SMILESCc1ccc(C(N)c2cc(C)c(F)cc2Cl)c(C)c1
InChIInChI=1S/C16H17ClFN/c1-9-4-5-12(10(2)6-9)16(19)13-7-11(3)15(18)8-14(13)17/h4-8,16H,19H2,1-3H3
InChIKeyWGCBZGKJYQHRGX-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.45
Rot. Bonds2

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

(2-chloro-4-fluoro-5-methylphenyl)-(2,4-dimethylphenyl)methanamine (PubChem CID 81045582) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is (2-chloro-4-fluoro-5-methylphenyl)-(2,4-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-fluoro-5-methylphenyl)-(2,4-dimethylphenyl)methanamine
PubChem CID81045582
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name(2-chloro-4-fluoro-5-methylphenyl)-(2,4-dimethylphenyl)methanamine
SMILESCc1ccc(C(N)c2cc(C)c(F)cc2Cl)c(C)c1
InChIInChI=1S/C16H17ClFN/c1-9-4-5-12(10(2)6-9)16(19)13-7-11(3)15(18)8-14(13)17/h4-8,16H,19H2,1-3H3
InChIKeyWGCBZGKJYQHRGX-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)-(2-chloro-4-methylphenyl)methanamine
CID 106861126
1-chloro-2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050811
(2-chloro-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanamine
CID 106861105
(2-chloro-4-fluoro-5-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 81045743
(2-chloro-4,5-difluorophenyl)-(2,5-dimethylphenyl)methanamine
CID 107476124
(2-chloro-4-fluoro-5-methylphenyl)-(2,3-difluorophenyl)methanamine
CID 81044973
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanol
CID 106862791
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-3-fluorophenyl)methanamine
CID 107998851
(2-bromo-5-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
CID 81045501
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dimethylphenyl)methanamine
CID 43330439
(2-chloro-4,5-difluorophenyl)-(2-methylphenyl)methanamine
CID 107476078
(2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 62801842

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(2,4-dimethylphenyl)methanamine?
The IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(2,4-dimethylphenyl)methanamine (CID 81045582) is (2-chloro-4-fluoro-5-methylphenyl)-(2,4-dimethylphenyl)methanamine.
What is the SMILES notation for (2-chloro-4-fluoro-5-methylphenyl)-(2,4-dimethylphenyl)methanamine?
The canonical SMILES for (2-chloro-4-fluoro-5-methylphenyl)-(2,4-dimethylphenyl)methanamine is Cc1ccc(C(N)c2cc(C)c(F)cc2Cl)c(C)c1.
What is the InChIKey of (2-chloro-4-fluoro-5-methylphenyl)-(2,4-dimethylphenyl)methanamine?
The InChIKey is WGCBZGKJYQHRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-9-4-5-12(10(2)6-9)16(19)13-7-11(3)15(18)8-14(13)17/h4-8,16H,19H2,1-3H3.
What are the key properties of (2-chloro-4-fluoro-5-methylphenyl)-(2,4-dimethylphenyl)methanamine?
(2-chloro-4-fluoro-5-methylphenyl)-(2,4-dimethylphenyl)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-fluoro-5-methylphenyl)-(2,4-dimethylphenyl)methanamine is sourced from PubChem (CID 81045582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).