4-[1-amino-3-(4-fluorophenyl)propan-2-yl]-N,N-dimethylaniline

C17H21FN2 — CID 82139525

IUPAC4-[1-amino-3-(4-fluorophenyl)propan-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(CN)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H21FN2/c1-20(2)17-9-5-14(6-10-17)15(12-19)11-13-3-7-16(18)8-4-13/h3-10,15H,11-12,19H2,1-2H3
InChIKeyUTIHWXVDFIWPJV-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.18
Rot. Bonds5

About 4-[1-amino-3-(4-fluorophenyl)propan-2-yl]-N,N-dimethylaniline

4-[1-amino-3-(4-fluorophenyl)propan-2-yl]-N,N-dimethylaniline (PubChem CID 82139525) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-[1-amino-3-(4-fluorophenyl)propan-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-amino-3-(4-fluorophenyl)propan-2-yl]-N,N-dimethylaniline
PubChem CID82139525
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name4-[1-amino-3-(4-fluorophenyl)propan-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(CN)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H21FN2/c1-20(2)17-9-5-14(6-10-17)15(12-19)11-13-3-7-16(18)8-4-13/h3-10,15H,11-12,19H2,1-2H3
InChIKeyUTIHWXVDFIWPJV-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-[1-amino-3-(4-fluorophenyl)propan-2-yl]-N,N-dimethylaniline 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-(4-bromophenyl)-3-(4-fluorophenyl)propan-1-amine
CID 79441901
3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 82930179
4-[3-amino-2-(4-ethoxy-3-methylphenyl)propyl]-N,N-dimethylaniline
CID 83974047
3-(3-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 15014589
3-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 79441426
4-[3-amino-2-(4-propan-2-ylphenyl)propyl]-N,N-diethylaniline
CID 83973083
2-(4-fluorophenyl)-N',N'-dimethylbutane-1,4-diamine
CID 82077975
4-[3-amino-2-(4-chlorophenyl)propyl]-N,N-diethylaniline
CID 82160421
4-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]-N,N-dimethylaniline
CID 60956705
1-[1-bromo-3-(4-fluorophenyl)propan-2-yl]-4-fluorobenzene
CID 79435525
2-(4-fluorophenyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-1-amine
CID 112538903
4-[(2S)-2-amino-3-fluoropropyl]-N,N-dimethylaniline
CID 89225584

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-3-(4-fluorophenyl)propan-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[1-amino-3-(4-fluorophenyl)propan-2-yl]-N,N-dimethylaniline (CID 82139525) is 4-[1-amino-3-(4-fluorophenyl)propan-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-amino-3-(4-fluorophenyl)propan-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[1-amino-3-(4-fluorophenyl)propan-2-yl]-N,N-dimethylaniline is CN(C)c1ccc(C(CN)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[1-amino-3-(4-fluorophenyl)propan-2-yl]-N,N-dimethylaniline?
The InChIKey is UTIHWXVDFIWPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-20(2)17-9-5-14(6-10-17)15(12-19)11-13-3-7-16(18)8-4-13/h3-10,15H,11-12,19H2,1-2H3.
What are the key properties of 4-[1-amino-3-(4-fluorophenyl)propan-2-yl]-N,N-dimethylaniline?
4-[1-amino-3-(4-fluorophenyl)propan-2-yl]-N,N-dimethylaniline has a molecular weight of 272.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-3-(4-fluorophenyl)propan-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 82139525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).