N-ethyl-1,1-difluoro-3-(2-methoxyphenyl)-2-methylpropan-2-amine

C13H19F2NO — CID 80605039

IUPACN-ethyl-1,1-difluoro-3-(2-methoxyphenyl)-2-methylpropan-2-amine
SMILESCCNC(C)(Cc1ccccc1OC)C(F)F
InChIInChI=1S/C13H19F2NO/c1-4-16-13(2,12(14)15)9-10-7-5-6-8-11(10)17-3/h5-8,12,16H,4,9H2,1-3H3
InChIKeyKPOQPCJVGYHYPC-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.87
Rot. Bonds6

About N-ethyl-1,1-difluoro-3-(2-methoxyphenyl)-2-methylpropan-2-amine

N-ethyl-1,1-difluoro-3-(2-methoxyphenyl)-2-methylpropan-2-amine (PubChem CID 80605039) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is N-ethyl-1,1-difluoro-3-(2-methoxyphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1-difluoro-3-(2-methoxyphenyl)-2-methylpropan-2-amine
PubChem CID80605039
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC NameN-ethyl-1,1-difluoro-3-(2-methoxyphenyl)-2-methylpropan-2-amine
SMILESCCNC(C)(Cc1ccccc1OC)C(F)F
InChIInChI=1S/C13H19F2NO/c1-4-16-13(2,12(14)15)9-10-7-5-6-8-11(10)17-3/h5-8,12,16H,4,9H2,1-3H3
InChIKeyKPOQPCJVGYHYPC-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 61056299
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CID 81021747
1-[2-(chloromethyl)-2-ethylbutyl]-2-methoxybenzene
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2-N',2-N'-diethyl-1-(2-methoxyphenyl)propane-2,2-diamine
CID 84752665
2-[(2-methoxyphenyl)methyl]-2-methylbutanenitrile
CID 65376186
3-(2-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid
CID 60997285
3-(2-methoxyphenyl)-2-methyl-2-(prop-2-ynylamino)propanoic acid
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1-N-tert-butyl-4-N-[(2-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine
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CID 119506968

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-difluoro-3-(2-methoxyphenyl)-2-methylpropan-2-amine?
The IUPAC name of N-ethyl-1,1-difluoro-3-(2-methoxyphenyl)-2-methylpropan-2-amine (CID 80605039) is N-ethyl-1,1-difluoro-3-(2-methoxyphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-ethyl-1,1-difluoro-3-(2-methoxyphenyl)-2-methylpropan-2-amine?
The canonical SMILES for N-ethyl-1,1-difluoro-3-(2-methoxyphenyl)-2-methylpropan-2-amine is CCNC(C)(Cc1ccccc1OC)C(F)F.
What is the InChIKey of N-ethyl-1,1-difluoro-3-(2-methoxyphenyl)-2-methylpropan-2-amine?
The InChIKey is KPOQPCJVGYHYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-4-16-13(2,12(14)15)9-10-7-5-6-8-11(10)17-3/h5-8,12,16H,4,9H2,1-3H3.
What are the key properties of N-ethyl-1,1-difluoro-3-(2-methoxyphenyl)-2-methylpropan-2-amine?
N-ethyl-1,1-difluoro-3-(2-methoxyphenyl)-2-methylpropan-2-amine has a molecular weight of 243.30 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-difluoro-3-(2-methoxyphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 80605039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).