3-chloro-N-(4-cyclohexylphenyl)-N-phenylaniline

C24H24ClN — CID 177098600

IUPAC3-chloro-N-(4-cyclohexylphenyl)-N-phenylaniline
SMILESClc1cccc(N(c2ccccc2)c2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C24H24ClN/c25-21-10-7-13-24(18-21)26(22-11-5-2-6-12-22)23-16-14-20(15-17-23)19-8-3-1-4-9-19/h2,5-7,10-19H,1,3-4,8-9H2
InChIKeyKDCCRSYPFHJZNY-UHFFFAOYSA-N
MW361.92 g/mol
LogP7.86
Rot. Bonds4

About 3-chloro-N-(4-cyclohexylphenyl)-N-phenylaniline

3-chloro-N-(4-cyclohexylphenyl)-N-phenylaniline (PubChem CID 177098600) has the molecular formula C24H24ClN and a molecular weight of 361.92 g/mol. Its IUPAC name is 3-chloro-N-(4-cyclohexylphenyl)-N-phenylaniline.

Molecular Properties

Compound Name3-chloro-N-(4-cyclohexylphenyl)-N-phenylaniline
PubChem CID177098600
Molecular FormulaC24H24ClN
Molecular Weight361.92 g/mol
Exact Mass361.16
IUPAC Name3-chloro-N-(4-cyclohexylphenyl)-N-phenylaniline
SMILESClc1cccc(N(c2ccccc2)c2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C24H24ClN/c25-21-10-7-13-24(18-21)26(22-11-5-2-6-12-22)23-16-14-20(15-17-23)19-8-3-1-4-9-19/h2,5-7,10-19H,1,3-4,8-9H2
InChIKeyKDCCRSYPFHJZNY-UHFFFAOYSA-N
XLogP7.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.92
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-N,17-N-bis(4-cyclohexylphenyl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
CID 166032183
N-(4-cyclohexylphenyl)-7-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 135164032
6-N,18-N-bis(4-cyclohexylphenyl)-6-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-6,18-diamine
CID 90263647
3-carbazol-9-yl-N,N-bis(4-cyclohexylphenyl)aniline
CID 164939404
2-(N-(4-cyclohexylphenyl)anilino)phenol
CID 22356901
4-N-[4-(4-cyclopropylphenyl)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 54264729
3-N,9-N-bis(4-cyclohexylphenyl)-10-methyl-3-N,9-N-diphenylphenanthrene-3,9-diamine
CID 121277488
N-(4-cyclohexylphenyl)-7-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine
CID 135164016
3-chloro-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(3-chlorophenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 22900174
8-cyclohexyl-N-[4-[4-(N-(8-cyclohexyldibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine
CID 71126832
4-cyclooctyl-N-[4-[1-[4-(N-[4-(4-cyclooctylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline
CID 164800997
4-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-[4-[4-(4-cyclohexylphenyl)phenyl]phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline
CID 164800976

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-cyclohexylphenyl)-N-phenylaniline?
The IUPAC name of 3-chloro-N-(4-cyclohexylphenyl)-N-phenylaniline (CID 177098600) is 3-chloro-N-(4-cyclohexylphenyl)-N-phenylaniline.
What is the SMILES notation for 3-chloro-N-(4-cyclohexylphenyl)-N-phenylaniline?
The canonical SMILES for 3-chloro-N-(4-cyclohexylphenyl)-N-phenylaniline is Clc1cccc(N(c2ccccc2)c2ccc(C3CCCCC3)cc2)c1.
What is the InChIKey of 3-chloro-N-(4-cyclohexylphenyl)-N-phenylaniline?
The InChIKey is KDCCRSYPFHJZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN/c25-21-10-7-13-24(18-21)26(22-11-5-2-6-12-22)23-16-14-20(15-17-23)19-8-3-1-4-9-19/h2,5-7,10-19H,1,3-4,8-9H2.
What are the key properties of 3-chloro-N-(4-cyclohexylphenyl)-N-phenylaniline?
3-chloro-N-(4-cyclohexylphenyl)-N-phenylaniline has a molecular weight of 361.92 g/mol, XLogP of 7.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-cyclohexylphenyl)-N-phenylaniline is sourced from PubChem (CID 177098600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).