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

C17H19F2NO — CID 60965951

IUPAC(2,6-difluoro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)methanamine
SMILESCOc1cc(F)c(C(N)c2c(C)cc(C)cc2C)c(F)c1
InChIInChI=1S/C17H19F2NO/c1-9-5-10(2)15(11(3)6-9)17(20)16-13(18)7-12(21-4)8-14(16)19/h5-8,17H,20H2,1-4H3
InChIKeySEHWHZRPVSSOEV-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.95
Rot. Bonds3

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

(2,6-difluoro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)methanamine (PubChem CID 60965951) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is (2,6-difluoro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)methanamine.

Molecular Properties

Compound Name(2,6-difluoro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)methanamine
PubChem CID60965951
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name(2,6-difluoro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)methanamine
SMILESCOc1cc(F)c(C(N)c2c(C)cc(C)cc2C)c(F)c1
InChIInChI=1S/C17H19F2NO/c1-9-5-10(2)15(11(3)6-9)17(20)16-13(18)7-12(21-4)8-14(16)19/h5-8,17H,20H2,1-4H3
InChIKeySEHWHZRPVSSOEV-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-difluoro-4-methoxyphenyl)-(2,4-dimethylphenyl)methanamine
CID 60964479
(5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine
CID 79981146
1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 118992878
(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 118992875
(2,6-difluoro-4-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 60964329
(2,6-difluoro-4-methoxyphenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 54880487
(2,6-difluoro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methanamine
CID 81126677
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanamine
CID 106881398
2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883395
(5-chloro-2-methoxyphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106883905
1-(2,6-difluoro-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 62538840
(2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561246

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)methanamine?
The IUPAC name of (2,6-difluoro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)methanamine (CID 60965951) is (2,6-difluoro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)methanamine.
What is the SMILES notation for (2,6-difluoro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)methanamine?
The canonical SMILES for (2,6-difluoro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)methanamine is COc1cc(F)c(C(N)c2c(C)cc(C)cc2C)c(F)c1.
What is the InChIKey of (2,6-difluoro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)methanamine?
The InChIKey is SEHWHZRPVSSOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-9-5-10(2)15(11(3)6-9)17(20)16-13(18)7-12(21-4)8-14(16)19/h5-8,17H,20H2,1-4H3.
What are the key properties of (2,6-difluoro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)methanamine?
(2,6-difluoro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)methanamine has a molecular weight of 291.34 g/mol, XLogP of 3.95, 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)-(2,4,6-trimethylphenyl)methanamine is sourced from PubChem (CID 60965951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).