(4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine

C16H17F2NO — CID 106877521

IUPAC(4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2c(C)cc(F)cc2C)cc1F
InChIInChI=1S/C16H17F2NO/c1-9-6-12(17)7-10(2)15(9)16(19)11-4-5-14(20-3)13(18)8-11/h4-8,16H,19H2,1-3H3
InChIKeyLNFDGGFPXYYBNI-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.64
Rot. Bonds3

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

(4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine (PubChem CID 106877521) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is (4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
PubChem CID106877521
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name(4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2c(C)cc(F)cc2C)cc1F
InChIInChI=1S/C16H17F2NO/c1-9-6-12(17)7-10(2)15(9)16(19)11-4-5-14(20-3)13(18)8-11/h4-8,16H,19H2,1-3H3
InChIKeyLNFDGGFPXYYBNI-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

(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 82814367
(3-fluoro-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 62505966
(5-chloro-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 82883361
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 97052813
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 105046236
(3-fluoro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)methanol
CID 61081867
1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43474173
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 81283664
(2,4-dimethoxyphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 106877206
(3-bromophenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474225

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine?
The IUPAC name of (4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine (CID 106877521) is (4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine?
The canonical SMILES for (4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine is COc1ccc(C(N)c2c(C)cc(F)cc2C)cc1F.
What is the InChIKey of (4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine?
The InChIKey is LNFDGGFPXYYBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-9-6-12(17)7-10(2)15(9)16(19)11-4-5-14(20-3)13(18)8-11/h4-8,16H,19H2,1-3H3.
What are the key properties of (4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine?
(4-fluoro-2,6-dimethylphenyl)-(3-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-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 106877521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).