(3-chloro-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine

C16H17ClFN — CID 106877482

IUPAC(3-chloro-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
SMILESCc1cc(Cl)cc(C(N)c2c(C)cc(F)cc2C)c1
InChIInChI=1S/C16H17ClFN/c1-9-4-12(8-13(17)5-9)16(19)15-10(2)6-14(18)7-11(15)3/h4-8,16H,19H2,1-3H3
InChIKeyILZHIZSIMBKWAD-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.45
Rot. Bonds2

About (3-chloro-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine

(3-chloro-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine (PubChem CID 106877482) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is (3-chloro-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
PubChem CID106877482
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name(3-chloro-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
SMILESCc1cc(Cl)cc(C(N)c2c(C)cc(F)cc2C)c1
InChIInChI=1S/C16H17ClFN/c1-9-4-12(8-13(17)5-9)16(19)15-10(2)6-14(18)7-11(15)3/h4-8,16H,19H2,1-3H3
InChIKeyILZHIZSIMBKWAD-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

(3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 106877289
(3-chloro-5-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 81323717
(5-bromo-2-fluorophenyl)-(3-chloro-5-methylphenyl)methanamine
CID 105011988
(3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine
CID 102763420
(3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 115796552
(4-tert-butylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 106877511
[(3,5-dichlorophenyl)-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105325316
(4-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 63081418
5-[bromo-(3-chloro-5-methylphenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 81324231
(3-chloro-5-fluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106880575
(4-fluoro-2,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 106877167
(3-bromo-5-methylphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 104851108

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine?
The IUPAC name of (3-chloro-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine (CID 106877482) is (3-chloro-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine.
What is the SMILES notation for (3-chloro-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine?
The canonical SMILES for (3-chloro-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine is Cc1cc(Cl)cc(C(N)c2c(C)cc(F)cc2C)c1.
What is the InChIKey of (3-chloro-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine?
The InChIKey is ILZHIZSIMBKWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-9-4-12(8-13(17)5-9)16(19)15-10(2)6-14(18)7-11(15)3/h4-8,16H,19H2,1-3H3.
What are the key properties of (3-chloro-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine?
(3-chloro-5-methylphenyl)-(4-fluoro-2,6-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 (3-chloro-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine is sourced from PubChem (CID 106877482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).