3-(3,5-difluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine

C13H19F2N — CID 64666039

IUPAC3-(3,5-difluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(CNC(C)C)Cc1cc(F)cc(F)c1
InChIInChI=1S/C13H19F2N/c1-9(2)16-8-10(3)4-11-5-12(14)7-13(15)6-11/h5-7,9-10,16H,4,8H2,1-3H3
InChIKeyQKGOWNKCDAZGNY-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.14
Rot. Bonds5

About 3-(3,5-difluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine

3-(3,5-difluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 64666039) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID64666039
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-(3,5-difluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(CNC(C)C)Cc1cc(F)cc(F)c1
InChIInChI=1S/C13H19F2N/c1-9(2)16-8-10(3)4-11-5-12(14)7-13(15)6-11/h5-7,9-10,16H,4,8H2,1-3H3
InChIKeyQKGOWNKCDAZGNY-UHFFFAOYSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3,5-difluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 105408036
5-(3,5-difluorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 105409747
3-(3-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62528281
2-methyl-3-[3-(2-methylpropyl)phenyl]-N-propan-2-ylpropan-1-amine
CID 116545803
1-(3-bromo-2-methylpropyl)-3-fluoro-5-methylbenzene
CID 79704131
1-(2-chloropropyl)-3,5-difluorobenzene
CID 126973917
2-methyl-N-propan-2-yl-3-(4-propylphenyl)propan-1-amine
CID 64663722
3-(furan-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 64664568
4-(3,5-difluorophenyl)-3-methylbutanoic acid
CID 105411374
1-(3,5-difluorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 79444981
4-(3,5-difluorophenyl)-3-methylbutan-2-amine
CID 105404517
2-[(3-fluorophenyl)methyl]-4-methyl-N-propan-2-ylhexan-1-amine
CID 63522096

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(3,5-difluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine (CID 64666039) is 3-(3,5-difluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(3,5-difluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(3,5-difluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine is CC(CNC(C)C)Cc1cc(F)cc(F)c1.
What is the InChIKey of 3-(3,5-difluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is QKGOWNKCDAZGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-9(2)16-8-10(3)4-11-5-12(14)7-13(15)6-11/h5-7,9-10,16H,4,8H2,1-3H3.
What are the key properties of 3-(3,5-difluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine?
3-(3,5-difluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 227.30 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 64666039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).