3-(3,5-difluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine

C15H23F2N — CID 81018091

IUPAC3-(3,5-difluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(C)C(C)c1cc(F)cc(F)c1
InChIInChI=1S/C15H23F2N/c1-10(2)8-18-9-11(3)12(4)13-5-14(16)7-15(17)6-13/h5-7,10-12,18H,8-9H2,1-4H3
InChIKeyNOFXJGGKLJFVJZ-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.95
Rot. Bonds6

About 3-(3,5-difluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine

3-(3,5-difluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 81018091) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID81018091
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name3-(3,5-difluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(C)C(C)c1cc(F)cc(F)c1
InChIInChI=1S/C15H23F2N/c1-10(2)8-18-9-11(3)12(4)13-5-14(16)7-15(17)6-13/h5-7,10-12,18H,8-9H2,1-4H3
InChIKeyNOFXJGGKLJFVJZ-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3,5-difluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-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-fluoro-4-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 107129577
3-(3,5-difluorophenyl)-N-(2-methylpropyl)butan-1-amine
CID 81015226
3-(3-fluoro-4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 81017675
4-(3-bromo-5-fluorophenyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81017251
1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methylpropylamino)ethanol
CID 115351272
2-(3-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 66243831
1-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161
3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride
CID 47002202
N-[2-cyclopentyl-3-(3,5-difluorophenyl)propyl]-2-methylpropan-1-amine
CID 105408541
CID 175939227
CID 175939227
2-(3-fluorophenyl)-5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 79440050
N-[3-(3,5-difluorophenoxy)propyl]-2-methylpropan-1-amine
CID 62783978

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 3-(3,5-difluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine (CID 81018091) is 3-(3,5-difluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 3-(3,5-difluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 3-(3,5-difluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCC(C)C(C)c1cc(F)cc(F)c1.
What is the InChIKey of 3-(3,5-difluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is NOFXJGGKLJFVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-10(2)8-18-9-11(3)12(4)13-5-14(16)7-15(17)6-13/h5-7,10-12,18H,8-9H2,1-4H3.
What are the key properties of 3-(3,5-difluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
3-(3,5-difluorophenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 255.35 g/mol, XLogP of 3.95, 6 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-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 81018091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).