2,5-difluoro-4-methyl-N-(4-phenylbutan-2-yl)aniline

C17H19F2N — CID 103585001

IUPAC2,5-difluoro-4-methyl-N-(4-phenylbutan-2-yl)aniline
SMILESCc1cc(F)c(NC(C)CCc2ccccc2)cc1F
InChIInChI=1S/C17H19F2N/c1-12-10-16(19)17(11-15(12)18)20-13(2)8-9-14-6-4-3-5-7-14/h3-7,10-11,13,20H,8-9H2,1-2H3
InChIKeyLVLWVMLUHZKQPP-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.71
Rot. Bonds5

About 2,5-difluoro-4-methyl-N-(4-phenylbutan-2-yl)aniline

2,5-difluoro-4-methyl-N-(4-phenylbutan-2-yl)aniline (PubChem CID 103585001) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 2,5-difluoro-4-methyl-N-(4-phenylbutan-2-yl)aniline.

Molecular Properties

Compound Name2,5-difluoro-4-methyl-N-(4-phenylbutan-2-yl)aniline
PubChem CID103585001
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name2,5-difluoro-4-methyl-N-(4-phenylbutan-2-yl)aniline
SMILESCc1cc(F)c(NC(C)CCc2ccccc2)cc1F
InChIInChI=1S/C17H19F2N/c1-12-10-16(19)17(11-15(12)18)20-13(2)8-9-14-6-4-3-5-7-14/h3-7,10-11,13,20H,8-9H2,1-2H3
InChIKeyLVLWVMLUHZKQPP-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,5-difluoro-4-methyl-N-(4-phenylbutan-2-yl)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

5-bromo-4-fluoro-2-methyl-N-(4-phenylbutan-2-yl)aniline
CID 107591356
4-chloro-2-methyl-N-(4-phenylbutan-2-yl)aniline
CID 43104795
4-iodo-2-methyl-N-(4-phenylbutan-2-yl)aniline
CID 43717102
2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline
CID 43094637
2-bromo-5-fluoro-N-(4-phenylbutan-2-yl)aniline
CID 107632948
N-(4-phenylbutan-2-yl)-2-(trifluoromethyl)aniline
CID 43098311
4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 100695385
N-(1-ethylsulfonylpropan-2-yl)-2,5-difluoro-4-methylaniline
CID 103584982
3-fluoro-N-(4-phenylbutan-2-yl)aniline
CID 43095548
5-fluoro-2-(4-phenylbutan-2-ylamino)benzoic acid
CID 63673336
N-(1-ethoxypropan-2-yl)-2,5-difluoro-4-methylaniline
CID 103585345
2,5-difluoro-4-methyl-N-(3-phenylbutyl)aniline
CID 103584755

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-methyl-N-(4-phenylbutan-2-yl)aniline?
The IUPAC name of 2,5-difluoro-4-methyl-N-(4-phenylbutan-2-yl)aniline (CID 103585001) is 2,5-difluoro-4-methyl-N-(4-phenylbutan-2-yl)aniline.
What is the SMILES notation for 2,5-difluoro-4-methyl-N-(4-phenylbutan-2-yl)aniline?
The canonical SMILES for 2,5-difluoro-4-methyl-N-(4-phenylbutan-2-yl)aniline is Cc1cc(F)c(NC(C)CCc2ccccc2)cc1F.
What is the InChIKey of 2,5-difluoro-4-methyl-N-(4-phenylbutan-2-yl)aniline?
The InChIKey is LVLWVMLUHZKQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-12-10-16(19)17(11-15(12)18)20-13(2)8-9-14-6-4-3-5-7-14/h3-7,10-11,13,20H,8-9H2,1-2H3.
What are the key properties of 2,5-difluoro-4-methyl-N-(4-phenylbutan-2-yl)aniline?
2,5-difluoro-4-methyl-N-(4-phenylbutan-2-yl)aniline has a molecular weight of 275.34 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-methyl-N-(4-phenylbutan-2-yl)aniline is sourced from PubChem (CID 103585001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).