4-[3-[(4-fluorophenyl)methyl-methylamino]propyl]aniline

C17H21FN2 — CID 115341840

IUPAC4-[3-[(4-fluorophenyl)methyl-methylamino]propyl]aniline
SMILESCN(CCCc1ccc(N)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C17H21FN2/c1-20(13-15-4-8-16(18)9-5-15)12-2-3-14-6-10-17(19)11-7-14/h4-11H,2-3,12-13,19H2,1H3
InChIKeyIUVWRFLIWQFGCV-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.47
Rot. Bonds6

About 4-[3-[(4-fluorophenyl)methyl-methylamino]propyl]aniline

4-[3-[(4-fluorophenyl)methyl-methylamino]propyl]aniline (PubChem CID 115341840) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-[3-[(4-fluorophenyl)methyl-methylamino]propyl]aniline.

Molecular Properties

Compound Name4-[3-[(4-fluorophenyl)methyl-methylamino]propyl]aniline
PubChem CID115341840
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name4-[3-[(4-fluorophenyl)methyl-methylamino]propyl]aniline
SMILESCN(CCCc1ccc(N)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C17H21FN2/c1-20(13-15-4-8-16(18)9-5-15)12-2-3-14-6-10-17(19)11-7-14/h4-11H,2-3,12-13,19H2,1H3
InChIKeyIUVWRFLIWQFGCV-UHFFFAOYSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[3-[(4-fluorophenyl)methyl-methylamino]propyl]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

N'-[(4-aminophenyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 23507168
4-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]aniline
CID 115212571
4-[3-[methyl(pentyl)amino]propyl]aniline
CID 113290597
4-[3-(dimethylamino)propyl]aniline;ethane
CID 144651557
4-[[methyl(propyl)amino]methyl]aniline
CID 23506800
N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159
4-[3-[methyl(3-methylbutyl)amino]propyl]aniline
CID 115341869
methyl 4-[(4-aminophenyl)methyl-methylamino]butanoate
CID 43458294
2-[(4-aminophenyl)methyl-methylamino]ethanol
CID 23507043
4-[(4-fluorophenyl)methyl-methylamino]butanal
CID 176696174
4-[[ethyl-[(4-fluorophenyl)methyl]amino]methyl]aniline
CID 43458819
N'-[2-(4-fluorophenyl)ethyl]-N'-methylbutane-1,4-diamine
CID 94259582

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-fluorophenyl)methyl-methylamino]propyl]aniline?
The IUPAC name of 4-[3-[(4-fluorophenyl)methyl-methylamino]propyl]aniline (CID 115341840) is 4-[3-[(4-fluorophenyl)methyl-methylamino]propyl]aniline.
What is the SMILES notation for 4-[3-[(4-fluorophenyl)methyl-methylamino]propyl]aniline?
The canonical SMILES for 4-[3-[(4-fluorophenyl)methyl-methylamino]propyl]aniline is CN(CCCc1ccc(N)cc1)Cc1ccc(F)cc1.
What is the InChIKey of 4-[3-[(4-fluorophenyl)methyl-methylamino]propyl]aniline?
The InChIKey is IUVWRFLIWQFGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-20(13-15-4-8-16(18)9-5-15)12-2-3-14-6-10-17(19)11-7-14/h4-11H,2-3,12-13,19H2,1H3.
What are the key properties of 4-[3-[(4-fluorophenyl)methyl-methylamino]propyl]aniline?
4-[3-[(4-fluorophenyl)methyl-methylamino]propyl]aniline has a molecular weight of 272.37 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-fluorophenyl)methyl-methylamino]propyl]aniline is sourced from PubChem (CID 115341840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).