N-[4-(2-aminobutyl)phenyl]-3-fluoro-N-methylaniline

C17H21FN2 — CID 63817579

IUPACN-[4-(2-aminobutyl)phenyl]-3-fluoro-N-methylaniline
SMILESCCC(N)Cc1ccc(N(C)c2cccc(F)c2)cc1
InChIInChI=1S/C17H21FN2/c1-3-15(19)11-13-7-9-16(10-8-13)20(2)17-6-4-5-14(18)12-17/h4-10,12,15H,3,11,19H2,1-2H3
InChIKeyZZNWUWKYCSMCES-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.87
Rot. Bonds5

About N-[4-(2-aminobutyl)phenyl]-3-fluoro-N-methylaniline

N-[4-(2-aminobutyl)phenyl]-3-fluoro-N-methylaniline (PubChem CID 63817579) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[4-(2-aminobutyl)phenyl]-3-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[4-(2-aminobutyl)phenyl]-3-fluoro-N-methylaniline
PubChem CID63817579
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC NameN-[4-(2-aminobutyl)phenyl]-3-fluoro-N-methylaniline
SMILESCCC(N)Cc1ccc(N(C)c2cccc(F)c2)cc1
InChIInChI=1S/C17H21FN2/c1-3-15(19)11-13-7-9-16(10-8-13)20(2)17-6-4-5-14(18)12-17/h4-10,12,15H,3,11,19H2,1-2H3
InChIKeyZZNWUWKYCSMCES-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-(2-aminobutyl)phenyl]-3-fluoro-N-methylaniline 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-(2-aminopropyl)phenyl]-3-fluoro-N-methylaniline
CID 63817401
4-(2-aminobutyl)-N-(3-fluorophenyl)-N,2-dimethylaniline
CID 63817754
N-[4-(2-aminoethyl)phenyl]-3-fluoro-N-methylaniline
CID 63786695
5-(2-aminobutyl)-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine
CID 80637193
2-(1-aminopropyl)-N-(3-fluorophenyl)-N-methylaniline
CID 112678084
(1S)-1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]propan-1-ol
CID 103938668
6-[(1R)-1-aminoethyl]-N-(3-fluorophenyl)-N-methylpyridin-3-amine
CID 83122861
4-(2-aminobutyl)-N-(2,2-dimethylpropyl)-N-methylaniline
CID 55237009
4-(2-aminobutyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 55236806
4-(aminomethyl)-3-chloro-N-(3-fluorophenyl)-N-methylaniline
CID 113230359
2-(2-aminobutyl)-5-bromo-N-(4-fluorophenyl)-N-methylaniline
CID 63815629
4-(2-aminobutyl)-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 63794551

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminobutyl)phenyl]-3-fluoro-N-methylaniline?
The IUPAC name of N-[4-(2-aminobutyl)phenyl]-3-fluoro-N-methylaniline (CID 63817579) is N-[4-(2-aminobutyl)phenyl]-3-fluoro-N-methylaniline.
What is the SMILES notation for N-[4-(2-aminobutyl)phenyl]-3-fluoro-N-methylaniline?
The canonical SMILES for N-[4-(2-aminobutyl)phenyl]-3-fluoro-N-methylaniline is CCC(N)Cc1ccc(N(C)c2cccc(F)c2)cc1.
What is the InChIKey of N-[4-(2-aminobutyl)phenyl]-3-fluoro-N-methylaniline?
The InChIKey is ZZNWUWKYCSMCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-3-15(19)11-13-7-9-16(10-8-13)20(2)17-6-4-5-14(18)12-17/h4-10,12,15H,3,11,19H2,1-2H3.
What are the key properties of N-[4-(2-aminobutyl)phenyl]-3-fluoro-N-methylaniline?
N-[4-(2-aminobutyl)phenyl]-3-fluoro-N-methylaniline has a molecular weight of 272.37 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminobutyl)phenyl]-3-fluoro-N-methylaniline is sourced from PubChem (CID 63817579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).