3,5-difluoro-N-(3-methyl-2-phenylbutyl)aniline

C17H19F2N — CID 107875822

IUPAC3,5-difluoro-N-(3-methyl-2-phenylbutyl)aniline
SMILESCC(C)C(CNc1cc(F)cc(F)c1)c1ccccc1
InChIInChI=1S/C17H19F2N/c1-12(2)17(13-6-4-3-5-7-13)11-20-16-9-14(18)8-15(19)10-16/h3-10,12,17,20H,11H2,1-2H3
InChIKeyBMLIHDJFOFUFDZ-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.82
Rot. Bonds5

About 3,5-difluoro-N-(3-methyl-2-phenylbutyl)aniline

3,5-difluoro-N-(3-methyl-2-phenylbutyl)aniline (PubChem CID 107875822) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 3,5-difluoro-N-(3-methyl-2-phenylbutyl)aniline.

Molecular Properties

Compound Name3,5-difluoro-N-(3-methyl-2-phenylbutyl)aniline
PubChem CID107875822
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name3,5-difluoro-N-(3-methyl-2-phenylbutyl)aniline
SMILESCC(C)C(CNc1cc(F)cc(F)c1)c1ccccc1
InChIInChI=1S/C17H19F2N/c1-12(2)17(13-6-4-3-5-7-13)11-20-16-9-14(18)8-15(19)10-16/h3-10,12,17,20H,11H2,1-2H3
InChIKeyBMLIHDJFOFUFDZ-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,5-difluoro-N-(3-methyl-2-phenylbutyl)aniline 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

2-fluoro-4-[(3-methyl-2-phenylbutyl)amino]phenol
CID 107876208
3-bromo-5-methyl-N-(3-methyl-2-phenylbutyl)aniline
CID 107876485
5-fluoro-2-methyl-N-(3-methyl-2-phenylbutyl)aniline
CID 107875814
[3-[(3-methyl-2-phenylbutyl)amino]phenyl]methanol
CID 107875961
4-bromo-2,6-difluoro-N-(3-methyl-2-phenylbutyl)aniline
CID 107876218
3-bromo-5-methoxy-N-(3-methyl-2-phenylbutyl)aniline
CID 107876350
2-chloro-5-[(3-methyl-2-phenylbutyl)amino]benzonitrile
CID 107875945
3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride
CID 47002202
N-(3-methyl-2-phenylbutyl)-2-methylsulfanylaniline
CID 107875943
3,5-difluoro-N-(1-phenylethyl)aniline
CID 43195985
2-methyl-N-(3-methyl-2-phenylbutyl)aniline
CID 107875833
1-(3,5-difluoroanilino)propan-2-ol
CID 60886197

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(3-methyl-2-phenylbutyl)aniline?
The IUPAC name of 3,5-difluoro-N-(3-methyl-2-phenylbutyl)aniline (CID 107875822) is 3,5-difluoro-N-(3-methyl-2-phenylbutyl)aniline.
What is the SMILES notation for 3,5-difluoro-N-(3-methyl-2-phenylbutyl)aniline?
The canonical SMILES for 3,5-difluoro-N-(3-methyl-2-phenylbutyl)aniline is CC(C)C(CNc1cc(F)cc(F)c1)c1ccccc1.
What is the InChIKey of 3,5-difluoro-N-(3-methyl-2-phenylbutyl)aniline?
The InChIKey is BMLIHDJFOFUFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-12(2)17(13-6-4-3-5-7-13)11-20-16-9-14(18)8-15(19)10-16/h3-10,12,17,20H,11H2,1-2H3.
What are the key properties of 3,5-difluoro-N-(3-methyl-2-phenylbutyl)aniline?
3,5-difluoro-N-(3-methyl-2-phenylbutyl)aniline has a molecular weight of 275.34 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(3-methyl-2-phenylbutyl)aniline is sourced from PubChem (CID 107875822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).