N-[1-(4-chlorophenyl)butyl]-4-phenoxyaniline

C22H22ClNO — CID 4712113

IUPACN-[1-(4-chlorophenyl)butyl]-4-phenoxyaniline
SMILESCCCC(Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClNO/c1-2-6-22(17-9-11-18(23)12-10-17)24-19-13-15-21(16-14-19)25-20-7-4-3-5-8-20/h3-5,7-16,22,24H,2,6H2,1H3
InChIKeyIQJCUBPBCJUERL-UHFFFAOYSA-N
MW351.88 g/mol
LogP7.09
Rot. Bonds7

About N-[1-(4-chlorophenyl)butyl]-4-phenoxyaniline

N-[1-(4-chlorophenyl)butyl]-4-phenoxyaniline (PubChem CID 4712113) has the molecular formula C22H22ClNO and a molecular weight of 351.88 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)butyl]-4-phenoxyaniline.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)butyl]-4-phenoxyaniline
PubChem CID4712113
Molecular FormulaC22H22ClNO
Molecular Weight351.88 g/mol
Exact Mass351.14
IUPAC NameN-[1-(4-chlorophenyl)butyl]-4-phenoxyaniline
SMILESCCCC(Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClNO/c1-2-6-22(17-9-11-18(23)12-10-17)24-19-13-15-21(16-14-19)25-20-7-4-3-5-8-20/h3-5,7-16,22,24H,2,6H2,1H3
InChIKeyIQJCUBPBCJUERL-UHFFFAOYSA-N
XLogP7.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.88
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 19069357
(1R)-N-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 54006451
5-[4-[1-(4-phenoxyphenyl)butylamino]phenyl]pyrrolidin-2-one
CID 167973863
N-[1-(4-chlorophenyl)butyl]pyrimidin-5-amine
CID 107587805
N-[1-(4-phenoxyphenyl)butyl]-1-pyridin-2-ylpyrazol-4-amine
CID 166338665
1,3,5-trimethyl-N-[1-(4-phenoxyphenyl)butyl]pyrazol-4-amine
CID 166338702
2,6-dichloro-N-[1-(4-chlorophenyl)butyl]aniline
CID 65467204
N-[1-(4-methoxyphenyl)pentyl]aniline
CID 102396772
N-[1-(4-chlorophenyl)butyl]thiophen-3-amine
CID 66352085
N-(4-chlorophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 65385961
1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351382
4-methoxy-N-(1-phenylhexyl)aniline
CID 43766012

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)butyl]-4-phenoxyaniline?
The IUPAC name of N-[1-(4-chlorophenyl)butyl]-4-phenoxyaniline (CID 4712113) is N-[1-(4-chlorophenyl)butyl]-4-phenoxyaniline.
What is the SMILES notation for N-[1-(4-chlorophenyl)butyl]-4-phenoxyaniline?
The canonical SMILES for N-[1-(4-chlorophenyl)butyl]-4-phenoxyaniline is CCCC(Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)butyl]-4-phenoxyaniline?
The InChIKey is IQJCUBPBCJUERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO/c1-2-6-22(17-9-11-18(23)12-10-17)24-19-13-15-21(16-14-19)25-20-7-4-3-5-8-20/h3-5,7-16,22,24H,2,6H2,1H3.
What are the key properties of N-[1-(4-chlorophenyl)butyl]-4-phenoxyaniline?
N-[1-(4-chlorophenyl)butyl]-4-phenoxyaniline has a molecular weight of 351.88 g/mol, XLogP of 7.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)butyl]-4-phenoxyaniline is sourced from PubChem (CID 4712113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).