2-fluoro-N-(3-methyl-1-phenylbutyl)aniline

C17H20FN — CID 43095350

IUPAC2-fluoro-N-(3-methyl-1-phenylbutyl)aniline
SMILESCC(C)CC(Nc1ccccc1F)c1ccccc1
InChIInChI=1S/C17H20FN/c1-13(2)12-17(14-8-4-3-5-9-14)19-16-11-7-6-10-15(16)18/h3-11,13,17,19H,12H2,1-2H3
InChIKeyZGADGBPBRPKMNY-UHFFFAOYSA-N
MW257.35 g/mol
LogP5.03
Rot. Bonds5

About 2-fluoro-N-(3-methyl-1-phenylbutyl)aniline

2-fluoro-N-(3-methyl-1-phenylbutyl)aniline (PubChem CID 43095350) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 2-fluoro-N-(3-methyl-1-phenylbutyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-(3-methyl-1-phenylbutyl)aniline
PubChem CID43095350
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name2-fluoro-N-(3-methyl-1-phenylbutyl)aniline
SMILESCC(C)CC(Nc1ccccc1F)c1ccccc1
InChIInChI=1S/C17H20FN/c1-13(2)12-17(14-8-4-3-5-9-14)19-16-11-7-6-10-15(16)18/h3-11,13,17,19H,12H2,1-2H3
InChIKeyZGADGBPBRPKMNY-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.35
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-difluoro-N-(3-methyl-1-phenylbutyl)aniline
CID 43108541
2-fluoro-6-[(3-methyl-1-phenylbutyl)amino]benzonitrile
CID 43399649
2,3,4-trifluoro-N-(3-methyl-1-phenylbutyl)aniline
CID 43105914
2-methyl-N-(3-methyl-1-phenylbutyl)aniline
CID 43108740
N-(3-methyl-1-phenylbutyl)-2-propan-2-ylaniline
CID 43111805
1-(2-fluorophenyl)-3-[(1S)-3-methyl-1-phenylbutyl]thiourea
CID 92693799
2-fluoro-N-(1-phenylpentyl)aniline
CID 43763346
2-bromo-6-fluoro-N-(3-methyl-1-phenylbutyl)aniline
CID 107598180
2-[(3-methyl-1-phenylbutyl)amino]benzoic acid
CID 43322105
N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 65378148
N-(3-methyl-1-phenylbutyl)-2,1,3-benzoselenadiazol-4-amine
CID 43715911
2-(2-fluoroanilino)-3,5-dimethylhexan-1-ol
CID 114201083

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-methyl-1-phenylbutyl)aniline?
The IUPAC name of 2-fluoro-N-(3-methyl-1-phenylbutyl)aniline (CID 43095350) is 2-fluoro-N-(3-methyl-1-phenylbutyl)aniline.
What is the SMILES notation for 2-fluoro-N-(3-methyl-1-phenylbutyl)aniline?
The canonical SMILES for 2-fluoro-N-(3-methyl-1-phenylbutyl)aniline is CC(C)CC(Nc1ccccc1F)c1ccccc1.
What is the InChIKey of 2-fluoro-N-(3-methyl-1-phenylbutyl)aniline?
The InChIKey is ZGADGBPBRPKMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-13(2)12-17(14-8-4-3-5-9-14)19-16-11-7-6-10-15(16)18/h3-11,13,17,19H,12H2,1-2H3.
What are the key properties of 2-fluoro-N-(3-methyl-1-phenylbutyl)aniline?
2-fluoro-N-(3-methyl-1-phenylbutyl)aniline has a molecular weight of 257.35 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-methyl-1-phenylbutyl)aniline is sourced from PubChem (CID 43095350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).