(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine

C16H17F2NO — CID 102882911

IUPAC(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(C)c(F)c(C)c2)c(F)c1
InChIInChI=1S/C16H17F2NO/c1-9-6-11(7-10(2)15(9)18)16(19)13-5-4-12(20-3)8-14(13)17/h4-8,16H,19H2,1-3H3
InChIKeyOZIQDZOEZMQRIS-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.64
Rot. Bonds3

About (4-fluoro-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine

(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine (PubChem CID 102882911) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is (4-fluoro-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
PubChem CID102882911
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(C)c(F)c(C)c2)c(F)c1
InChIInChI=1S/C16H17F2NO/c1-9-6-11(7-10(2)15(9)18)16(19)13-5-4-12(20-3)8-14(13)17/h4-8,16H,19H2,1-3H3
InChIKeyOZIQDZOEZMQRIS-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-fluoro-4-methoxyphenyl)-phenylmethanamine
CID 43561220
(2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 102882947
(2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 102882564
(2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561246
(4-bromophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561243
(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 61032943
(S)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239584
(5-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 82883895
(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 43561305
(2,6-dimethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561193
(2-fluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanamine
CID 82237946
2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561298

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine?
The IUPAC name of (4-fluoro-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine (CID 102882911) is (4-fluoro-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (4-fluoro-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine?
The canonical SMILES for (4-fluoro-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine is COc1ccc(C(N)c2cc(C)c(F)c(C)c2)c(F)c1.
What is the InChIKey of (4-fluoro-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine?
The InChIKey is OZIQDZOEZMQRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-9-6-11(7-10(2)15(9)18)16(19)13-5-4-12(20-3)8-14(13)17/h4-8,16H,19H2,1-3H3.
What are the key properties of (4-fluoro-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine?
(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)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 (4-fluoro-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 102882911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).