1-(2,6-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine

C17H19F2NO — CID 114931245

IUPAC1-(2,6-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
SMILESCOc1ccc(CC(C)(N)Cc2c(F)cccc2F)cc1
InChIInChI=1S/C17H19F2NO/c1-17(20,10-12-6-8-13(21-2)9-7-12)11-14-15(18)4-3-5-16(14)19/h3-9H,10-11,20H2,1-2H3
InChIKeyWJSHYSFVDWHIPM-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.48
Rot. Bonds5

About 1-(2,6-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine

1-(2,6-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine (PubChem CID 114931245) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
PubChem CID114931245
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-(2,6-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
SMILESCOc1ccc(CC(C)(N)Cc2c(F)cccc2F)cc1
InChIInChI=1S/C17H19F2NO/c1-17(20,10-12-6-8-13(21-2)9-7-12)11-14-15(18)4-3-5-16(14)19/h3-9H,10-11,20H2,1-2H3
InChIKeyWJSHYSFVDWHIPM-UHFFFAOYSA-N
XLogP3.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-fluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
CID 63273009
1-(4-iodophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
CID 65477669
1-(2,6-difluorophenyl)-2-(4-methoxyphenyl)propan-2-ol
CID 114930972
2-amino-3-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 22961263
1-(4-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
CID 114347101
1-(4-methoxyphenyl)-2-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824884
1,2-bis(4-methoxyphenyl)propan-2-amine
CID 63273092
1-(4-methoxyphenyl)-2-N',2-N'-dimethylpropane-2,2-diamine
CID 84748167
1-(5-ethyl-2-pyridinyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
CID 79732624
2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine
CID 63273344
2-amino-3-(4-methoxyphenyl)-2-methylpropanenitrile
CID 14989929
2-N',2-N'-diethyl-1-(4-methoxyphenyl)propane-2,2-diamine
CID 84752655

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine (CID 114931245) is 1-(2,6-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine is COc1ccc(CC(C)(N)Cc2c(F)cccc2F)cc1.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine?
The InChIKey is WJSHYSFVDWHIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-17(20,10-12-6-8-13(21-2)9-7-12)11-14-15(18)4-3-5-16(14)19/h3-9H,10-11,20H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine?
1-(2,6-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine has a molecular weight of 291.34 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 114931245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).