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

C20H18ClNO — CID 54796770

IUPACN-[2-(4-chlorophenyl)ethyl]-4-phenoxyaniline
SMILESClc1ccc(CCNc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C20H18ClNO/c21-17-8-6-16(7-9-17)14-15-22-18-10-12-20(13-11-18)23-19-4-2-1-3-5-19/h1-13,22H,14-15H2
InChIKeyAHBPTKWEJIVLGW-UHFFFAOYSA-N
MW323.82 g/mol
LogP5.79
Rot. Bonds6

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

N-[2-(4-chlorophenyl)ethyl]-4-phenoxyaniline (PubChem CID 54796770) has the molecular formula C20H18ClNO and a molecular weight of 323.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-phenoxyaniline.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4-phenoxyaniline
PubChem CID54796770
Molecular FormulaC20H18ClNO
Molecular Weight323.82 g/mol
Exact Mass323.11
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4-phenoxyaniline
SMILESClc1ccc(CCNc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C20H18ClNO/c21-17-8-6-16(7-9-17)14-15-22-18-10-12-20(13-11-18)23-19-4-2-1-3-5-19/h1-13,22H,14-15H2
InChIKeyAHBPTKWEJIVLGW-UHFFFAOYSA-N
XLogP5.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.82
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenoxy-N-(3-phenylpropyl)aniline
CID 39430776
N'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806748
N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-2-phenoxyacetamide
CID 112984120
4-chloro-N-[3-(4-methoxyphenyl)propyl]aniline
CID 69045313
1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene
CID 54171722
N-(2-phenylethyl)-4-propan-2-yloxyaniline
CID 28969676
N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine
CID 54805518
3-butoxy-N-[2-(4-chlorophenyl)ethyl]aniline
CID 54800672
N-butyl-4-phenoxyaniline
CID 4712110
N-[2-(4-chlorophenyl)ethyl]-2-fluoroaniline
CID 54798222
4-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]aniline
CID 142720853
4-(methoxymethyl)-N-(2-phenylethyl)aniline
CID 83961080

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-phenoxyaniline?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-phenoxyaniline (CID 54796770) is N-[2-(4-chlorophenyl)ethyl]-4-phenoxyaniline.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-phenoxyaniline?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-phenoxyaniline is Clc1ccc(CCNc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-phenoxyaniline?
The InChIKey is AHBPTKWEJIVLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO/c21-17-8-6-16(7-9-17)14-15-22-18-10-12-20(13-11-18)23-19-4-2-1-3-5-19/h1-13,22H,14-15H2.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-phenoxyaniline?
N-[2-(4-chlorophenyl)ethyl]-4-phenoxyaniline has a molecular weight of 323.82 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-4-phenoxyaniline is sourced from PubChem (CID 54796770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).