1,1-difluoro-2-(3-methoxyphenyl)-N-propylpropan-2-amine

C13H19F2NO — CID 80605062

IUPAC1,1-difluoro-2-(3-methoxyphenyl)-N-propylpropan-2-amine
SMILESCCCNC(C)(c1cccc(OC)c1)C(F)F
InChIInChI=1S/C13H19F2NO/c1-4-8-16-13(2,12(14)15)10-6-5-7-11(9-10)17-3/h5-7,9,12,16H,4,8H2,1-3H3
InChIKeyIHVIUWOPYRZYPR-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.18
Rot. Bonds6

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

1,1-difluoro-2-(3-methoxyphenyl)-N-propylpropan-2-amine (PubChem CID 80605062) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 1,1-difluoro-2-(3-methoxyphenyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-2-(3-methoxyphenyl)-N-propylpropan-2-amine
PubChem CID80605062
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name1,1-difluoro-2-(3-methoxyphenyl)-N-propylpropan-2-amine
SMILESCCCNC(C)(c1cccc(OC)c1)C(F)F
InChIInChI=1S/C13H19F2NO/c1-4-8-16-13(2,12(14)15)10-6-5-7-11(9-10)17-3/h5-7,9,12,16H,4,8H2,1-3H3
InChIKeyIHVIUWOPYRZYPR-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1-difluoro-2-(3-methoxyphenyl)-N-propylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(difluoromethoxy)phenyl]-3-(propylamino)butan-1-ol
CID 65234913
N-ethyl-1,1-difluoro-2-(3-fluorophenyl)propan-2-amine
CID 80604450
2-[3-(difluoromethoxy)phenyl]-2-(propylamino)propanoic acid
CID 43754107
1-(1,1-difluoroethyl)-3-methoxybenzene
CID 116841600
3-fluoro-3-(3-methoxyphenyl)-N-methylbutan-1-amine
CID 105465072
2-(3-methoxyphenyl)-3-methylhexan-2-ol
CID 107892511
1-methoxy-3-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene
CID 176900068
1-fluoro-1-(3-methoxyphenyl)ethanol
CID 174577353
2-(3-methoxyphenyl)hexan-2-amine
CID 62620704
1-(2-chloropropan-2-yl)-3-methoxybenzene
CID 67293562
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
CID 166750619

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-(3-methoxyphenyl)-N-propylpropan-2-amine?
The IUPAC name of 1,1-difluoro-2-(3-methoxyphenyl)-N-propylpropan-2-amine (CID 80605062) is 1,1-difluoro-2-(3-methoxyphenyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1,1-difluoro-2-(3-methoxyphenyl)-N-propylpropan-2-amine?
The canonical SMILES for 1,1-difluoro-2-(3-methoxyphenyl)-N-propylpropan-2-amine is CCCNC(C)(c1cccc(OC)c1)C(F)F.
What is the InChIKey of 1,1-difluoro-2-(3-methoxyphenyl)-N-propylpropan-2-amine?
The InChIKey is IHVIUWOPYRZYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-4-8-16-13(2,12(14)15)10-6-5-7-11(9-10)17-3/h5-7,9,12,16H,4,8H2,1-3H3.
What are the key properties of 1,1-difluoro-2-(3-methoxyphenyl)-N-propylpropan-2-amine?
1,1-difluoro-2-(3-methoxyphenyl)-N-propylpropan-2-amine has a molecular weight of 243.30 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-(3-methoxyphenyl)-N-propylpropan-2-amine is sourced from PubChem (CID 80605062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).