(2,6-difluoro-4-methoxyphenyl)-(2,4-dimethylphenyl)methanamine

C16H17F2NO — CID 60964479

IUPAC(2,6-difluoro-4-methoxyphenyl)-(2,4-dimethylphenyl)methanamine
SMILESCOc1cc(F)c(C(N)c2ccc(C)cc2C)c(F)c1
InChIInChI=1S/C16H17F2NO/c1-9-4-5-12(10(2)6-9)16(19)15-13(17)7-11(20-3)8-14(15)18/h4-8,16H,19H2,1-3H3
InChIKeyUNMXUJYHFWOPIN-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.64
Rot. Bonds3

About (2,6-difluoro-4-methoxyphenyl)-(2,4-dimethylphenyl)methanamine

(2,6-difluoro-4-methoxyphenyl)-(2,4-dimethylphenyl)methanamine (PubChem CID 60964479) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is (2,6-difluoro-4-methoxyphenyl)-(2,4-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(2,6-difluoro-4-methoxyphenyl)-(2,4-dimethylphenyl)methanamine
PubChem CID60964479
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name(2,6-difluoro-4-methoxyphenyl)-(2,4-dimethylphenyl)methanamine
SMILESCOc1cc(F)c(C(N)c2ccc(C)cc2C)c(F)c1
InChIInChI=1S/C16H17F2NO/c1-9-4-5-12(10(2)6-9)16(19)15-13(17)7-11(20-3)8-14(15)18/h4-8,16H,19H2,1-3H3
InChIKeyUNMXUJYHFWOPIN-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561246
(2,6-difluoro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)methanamine
CID 60965951
(2-fluoro-5-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 62514630
(2,4-dimethoxyphenyl)-(2,4-dimethylphenyl)methanamine
CID 43197259
(2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 102882564
(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanamine
CID 54880557
(2,6-difluoro-4-methoxyphenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 54880487
(2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 61080731
1-(2,6-difluoro-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 62538840
(5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine
CID 79981146
(2,6-difluoro-4-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 60964329
(2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 62801842

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-4-methoxyphenyl)-(2,4-dimethylphenyl)methanamine?
The IUPAC name of (2,6-difluoro-4-methoxyphenyl)-(2,4-dimethylphenyl)methanamine (CID 60964479) is (2,6-difluoro-4-methoxyphenyl)-(2,4-dimethylphenyl)methanamine.
What is the SMILES notation for (2,6-difluoro-4-methoxyphenyl)-(2,4-dimethylphenyl)methanamine?
The canonical SMILES for (2,6-difluoro-4-methoxyphenyl)-(2,4-dimethylphenyl)methanamine is COc1cc(F)c(C(N)c2ccc(C)cc2C)c(F)c1.
What is the InChIKey of (2,6-difluoro-4-methoxyphenyl)-(2,4-dimethylphenyl)methanamine?
The InChIKey is UNMXUJYHFWOPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-9-4-5-12(10(2)6-9)16(19)15-13(17)7-11(20-3)8-14(15)18/h4-8,16H,19H2,1-3H3.
What are the key properties of (2,6-difluoro-4-methoxyphenyl)-(2,4-dimethylphenyl)methanamine?
(2,6-difluoro-4-methoxyphenyl)-(2,4-dimethylphenyl)methanamine has a molecular weight of 277.31 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-4-methoxyphenyl)-(2,4-dimethylphenyl)methanamine is sourced from PubChem (CID 60964479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).