3,3-difluoro-4-(4-methoxyphenyl)-N-methylbutan-2-amine

C12H17F2NO — CID 105486503

IUPAC3,3-difluoro-4-(4-methoxyphenyl)-N-methylbutan-2-amine
SMILESCNC(C)C(F)(F)Cc1ccc(OC)cc1
InChIInChI=1S/C12H17F2NO/c1-9(15-2)12(13,14)8-10-4-6-11(16-3)7-5-10/h4-7,9,15H,8H2,1-3H3
InChIKeyDLCSABVVSQUUEO-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.48
Rot. Bonds5

About 3,3-difluoro-4-(4-methoxyphenyl)-N-methylbutan-2-amine

3,3-difluoro-4-(4-methoxyphenyl)-N-methylbutan-2-amine (PubChem CID 105486503) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 3,3-difluoro-4-(4-methoxyphenyl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name3,3-difluoro-4-(4-methoxyphenyl)-N-methylbutan-2-amine
PubChem CID105486503
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name3,3-difluoro-4-(4-methoxyphenyl)-N-methylbutan-2-amine
SMILESCNC(C)C(F)(F)Cc1ccc(OC)cc1
InChIInChI=1S/C12H17F2NO/c1-9(15-2)12(13,14)8-10-4-6-11(16-3)7-5-10/h4-7,9,15H,8H2,1-3H3
InChIKeyDLCSABVVSQUUEO-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-difluoro-4-(4-methoxyphenyl)-N-methylbutan-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

1-methoxy-4-(2,2,3,3-tetrafluoropropyl)benzene
CID 132937165
2,2-difluoro-3-(4-methoxyphenyl)propanal
CID 54572596
6,6,6-trifluoro-1-(4-methoxyphenyl)-N-methylhexan-2-amine
CID 115516486
2-[(4-methoxyphenyl)methyl]-2-(methylamino)propane-1,3-diol
CID 121015626
1-[1,3-bis(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]propan-2-yl]-4-methoxybenzene
CID 71248389
2-(4-methoxyphenyl)-N-methylethanamine;2,2,2-trifluoroacetic acid
CID 69301984
1,2-bis(4-methoxyphenyl)propan-2-amine
CID 63273092
1-(4-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 61065170
3,3,3-trifluoro-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine
CID 63226596
1-(4-methoxyphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480574
1-(4-methoxyphenyl)-2,3-dimethylpentan-2-ol
CID 79444953
1-(2,2-difluoro-2-phenylsulfanylethyl)-4-methoxybenzene
CID 132608190

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-(4-methoxyphenyl)-N-methylbutan-2-amine?
The IUPAC name of 3,3-difluoro-4-(4-methoxyphenyl)-N-methylbutan-2-amine (CID 105486503) is 3,3-difluoro-4-(4-methoxyphenyl)-N-methylbutan-2-amine.
What is the SMILES notation for 3,3-difluoro-4-(4-methoxyphenyl)-N-methylbutan-2-amine?
The canonical SMILES for 3,3-difluoro-4-(4-methoxyphenyl)-N-methylbutan-2-amine is CNC(C)C(F)(F)Cc1ccc(OC)cc1.
What is the InChIKey of 3,3-difluoro-4-(4-methoxyphenyl)-N-methylbutan-2-amine?
The InChIKey is DLCSABVVSQUUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-9(15-2)12(13,14)8-10-4-6-11(16-3)7-5-10/h4-7,9,15H,8H2,1-3H3.
What are the key properties of 3,3-difluoro-4-(4-methoxyphenyl)-N-methylbutan-2-amine?
3,3-difluoro-4-(4-methoxyphenyl)-N-methylbutan-2-amine has a molecular weight of 229.27 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-(4-methoxyphenyl)-N-methylbutan-2-amine is sourced from PubChem (CID 105486503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).