N-benzyl-4-(4-fluorophenyl)butan-2-amine

C17H20FN — CID 21331650

IUPACN-benzyl-4-(4-fluorophenyl)butan-2-amine
SMILESCC(CCc1ccc(F)cc1)NCc1ccccc1
InChIInChI=1S/C17H20FN/c1-14(19-13-16-5-3-2-4-6-16)7-8-15-9-11-17(18)12-10-15/h2-6,9-12,14,19H,7-8,13H2,1H3
InChIKeyFPNIPZQJJUDYPX-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.94
Rot. Bonds6

About N-benzyl-4-(4-fluorophenyl)butan-2-amine

N-benzyl-4-(4-fluorophenyl)butan-2-amine (PubChem CID 21331650) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is N-benzyl-4-(4-fluorophenyl)butan-2-amine.

Molecular Properties

Compound NameN-benzyl-4-(4-fluorophenyl)butan-2-amine
PubChem CID21331650
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC NameN-benzyl-4-(4-fluorophenyl)butan-2-amine
SMILESCC(CCc1ccc(F)cc1)NCc1ccccc1
InChIInChI=1S/C17H20FN/c1-14(19-13-16-5-3-2-4-6-16)7-8-15-9-11-17(18)12-10-15/h2-6,9-12,14,19H,7-8,13H2,1H3
InChIKeyFPNIPZQJJUDYPX-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-benzyl-4-(4-fluorophenyl)butan-2-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

N-[(3,5-difluorophenyl)methyl]-4-phenylbutan-2-amine
CID 115623663
N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine
CID 17211073
N-[(3-chloro-4-fluorophenyl)methyl]-4-phenylbutan-2-amine
CID 63476474
4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine;hydrochloride
CID 17206485
N-[(2-bromo-5-fluorophenyl)methyl]-4-phenylbutan-2-amine
CID 63452332
4-chloro-N-[(4-fluorophenyl)methyl]butan-2-amine
CID 83187315
2-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 4079657
N-[(3,4-dichlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211336
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 95901327
3-(4-fluorophenyl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 94870735
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenylbutan-2-amine
CID 56677220

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-fluorophenyl)butan-2-amine?
The IUPAC name of N-benzyl-4-(4-fluorophenyl)butan-2-amine (CID 21331650) is N-benzyl-4-(4-fluorophenyl)butan-2-amine.
What is the SMILES notation for N-benzyl-4-(4-fluorophenyl)butan-2-amine?
The canonical SMILES for N-benzyl-4-(4-fluorophenyl)butan-2-amine is CC(CCc1ccc(F)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-(4-fluorophenyl)butan-2-amine?
The InChIKey is FPNIPZQJJUDYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-14(19-13-16-5-3-2-4-6-16)7-8-15-9-11-17(18)12-10-15/h2-6,9-12,14,19H,7-8,13H2,1H3.
What are the key properties of N-benzyl-4-(4-fluorophenyl)butan-2-amine?
N-benzyl-4-(4-fluorophenyl)butan-2-amine has a molecular weight of 257.35 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-fluorophenyl)butan-2-amine is sourced from PubChem (CID 21331650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).