N-[2-(4-chlorophenyl)ethyl]-2-fluoroaniline

C14H13ClFN — CID 54798222

IUPACN-[2-(4-chlorophenyl)ethyl]-2-fluoroaniline
SMILESFc1ccccc1NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H13ClFN/c15-12-7-5-11(6-8-12)9-10-17-14-4-2-1-3-13(14)16/h1-8,17H,9-10H2
InChIKeyZOHRWVXAFGOOKF-UHFFFAOYSA-N
MW249.72 g/mol
LogP4.13
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-2-fluoroaniline

N-[2-(4-chlorophenyl)ethyl]-2-fluoroaniline (PubChem CID 54798222) has the molecular formula C14H13ClFN and a molecular weight of 249.72 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-fluoroaniline.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-fluoroaniline
PubChem CID54798222
Molecular FormulaC14H13ClFN
Molecular Weight249.72 g/mol
Exact Mass249.07
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-fluoroaniline
SMILESFc1ccccc1NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H13ClFN/c15-12-7-5-11(6-8-12)9-10-17-14-4-2-1-3-13(14)16/h1-8,17H,9-10H2
InChIKeyZOHRWVXAFGOOKF-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2-(4-chlorophenyl)ethyl]-2-fluoroaniline 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

1-N-[2-(4-chlorophenyl)ethyl]-3-fluorobenzene-1,2-diamine
CID 61380758
N-[2-(4-chlorophenyl)ethyl]naphthalen-1-amine
CID 54795955
2-[2-(4-chlorophenyl)ethylamino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109261462
N-[(4-chlorophenyl)methyl]-3-(2-fluoroanilino)propanamide
CID 109021705
N-[2-(4-chlorophenyl)ethyl]-N'-(2-fluorophenyl)-2,2-dimethylpropanediamide
CID 108965063
N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyaniline
CID 54801504
3-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 63078168
N-[2-(4-chlorophenyl)ethyl]-3,5-difluoropyridin-4-amine
CID 167960431
N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830
N-[2-(4-chlorophenyl)ethyl]-4-phenoxyaniline
CID 54796770
N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 43100538
2,3-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 65446531

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-fluoroaniline?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-fluoroaniline (CID 54798222) is N-[2-(4-chlorophenyl)ethyl]-2-fluoroaniline.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-fluoroaniline?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-fluoroaniline is Fc1ccccc1NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-fluoroaniline?
The InChIKey is ZOHRWVXAFGOOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN/c15-12-7-5-11(6-8-12)9-10-17-14-4-2-1-3-13(14)16/h1-8,17H,9-10H2.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-fluoroaniline?
N-[2-(4-chlorophenyl)ethyl]-2-fluoroaniline has a molecular weight of 249.72 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-fluoroaniline is sourced from PubChem (CID 54798222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).