(2-chloro-3-methylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine

C16H17ClFN — CID 106883863

IUPAC(2-chloro-3-methylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2cccc(C)c2Cl)c(F)c1
InChIInChI=1S/C16H17ClFN/c1-9-7-11(3)14(13(18)8-9)16(19)12-6-4-5-10(2)15(12)17/h4-8,16H,19H2,1-3H3
InChIKeyXJPJKRQEOMRDIE-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.45
Rot. Bonds2

About (2-chloro-3-methylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine

(2-chloro-3-methylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine (PubChem CID 106883863) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is (2-chloro-3-methylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-3-methylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
PubChem CID106883863
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name(2-chloro-3-methylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2cccc(C)c2Cl)c(F)c1
InChIInChI=1S/C16H17ClFN/c1-9-7-11(3)14(13(18)8-9)16(19)12-6-4-5-10(2)15(12)17/h4-8,16H,19H2,1-3H3
InChIKeyXJPJKRQEOMRDIE-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

(5-chloro-2-methoxyphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106883905
(2-fluoro-4,6-dimethylphenyl)-quinoxalin-5-ylmethanamine
CID 106883959
(2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881519
(2-fluoro-4,6-dimethylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 106883591
(2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 106881261
(3-bromo-2-fluorophenyl)-(2-chloro-3-methylphenyl)methanamine
CID 106648243
(2-fluoro-4,6-dimethylphenyl)-(2-methylfuran-3-yl)methanamine
CID 106881970
(2-fluoro-4,6-dimethylphenyl)-(2-methoxy-3-pyridinyl)methanamine
CID 106883912
(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methanamine
CID 62515845
(2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990549
(2-chloro-6-fluorophenyl)-(2-methylphenyl)methanamine
CID 82087273
(2,6-dichlorophenyl)-(2,4,6-trimethylphenyl)methanamine
CID 43102640

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-methylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine?
The IUPAC name of (2-chloro-3-methylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine (CID 106883863) is (2-chloro-3-methylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine.
What is the SMILES notation for (2-chloro-3-methylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine?
The canonical SMILES for (2-chloro-3-methylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine is Cc1cc(C)c(C(N)c2cccc(C)c2Cl)c(F)c1.
What is the InChIKey of (2-chloro-3-methylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine?
The InChIKey is XJPJKRQEOMRDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-9-7-11(3)14(13(18)8-9)16(19)12-6-4-5-10(2)15(12)17/h4-8,16H,19H2,1-3H3.
What are the key properties of (2-chloro-3-methylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine?
(2-chloro-3-methylphenyl)-(2-fluoro-4,6-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-3-methylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine is sourced from PubChem (CID 106883863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).