4-[1-(4-cyclohexylphenyl)pentyl]-3-methylaniline

C24H33N — CID 67687303

IUPAC4-[1-(4-cyclohexylphenyl)pentyl]-3-methylaniline
SMILESCCCCC(c1ccc(C2CCCCC2)cc1)c1ccc(N)cc1C
InChIInChI=1S/C24H33N/c1-3-4-10-24(23-16-15-22(25)17-18(23)2)21-13-11-20(12-14-21)19-8-6-5-7-9-19/h11-17,19,24H,3-10,25H2,1-2H3
InChIKeyVVDUJVIMDIEBFL-UHFFFAOYSA-N
MW335.54 g/mol
LogP6.95
Rot. Bonds6

About 4-[1-(4-cyclohexylphenyl)pentyl]-3-methylaniline

4-[1-(4-cyclohexylphenyl)pentyl]-3-methylaniline (PubChem CID 67687303) has the molecular formula C24H33N and a molecular weight of 335.54 g/mol. Its IUPAC name is 4-[1-(4-cyclohexylphenyl)pentyl]-3-methylaniline.

Molecular Properties

Compound Name4-[1-(4-cyclohexylphenyl)pentyl]-3-methylaniline
PubChem CID67687303
Molecular FormulaC24H33N
Molecular Weight335.54 g/mol
Exact Mass335.26
IUPAC Name4-[1-(4-cyclohexylphenyl)pentyl]-3-methylaniline
SMILESCCCCC(c1ccc(C2CCCCC2)cc1)c1ccc(N)cc1C
InChIInChI=1S/C24H33N/c1-3-4-10-24(23-16-15-22(25)17-18(23)2)21-13-11-20(12-14-21)19-8-6-5-7-9-19/h11-17,19,24H,3-10,25H2,1-2H3
InChIKeyVVDUJVIMDIEBFL-UHFFFAOYSA-N
XLogP6.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.54
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[1-[4-[1-[4-[1-(4-amino-2-methylphenyl)pentyl]phenyl]-4-cyclohexylhexyl]phenyl]pentyl]-3-methylaniline
CID 70273734
4-[1-[4-[1-[4-[1-(4-amino-2-methylphenyl)undecyl]phenyl]hexyl]phenyl]undecyl]-3-methylaniline
CID 22919040
4-[1-[4-[1-[4-[1-(4-amino-2-methylphenyl)dodecyl]phenyl]dodecyl]phenyl]dodecyl]-3-methylaniline
CID 22919074
4-[1-[4-[1-[4-[1-(4-amino-2-methylphenyl)pentyl]phenyl]-1-cyclohexylbutyl]phenyl]pentyl]-3-methylaniline
CID 70271985
4-[1-[4-[1-[4-[1-(4-amino-2-methylphenyl)pentyl]phenyl]-1-cyclohexyloctyl]phenyl]pentyl]-3-methylaniline
CID 70273401
4-[1-[4-[2-[4-[1-(4-amino-2-methylphenyl)pentyl]phenyl]ethyl]phenyl]pentyl]-3-methylaniline
CID 22920362
4-[1-[4-[1-[4-[1-(4-amino-2-methylphenyl)hexyl]phenyl]-1-cyclohexylpentyl]phenyl]hexyl]-3-methylaniline
CID 70271778
4-[1-[4-[1-[4-[1-(4-amino-2-methylphenyl)hexyl]phenyl]-4-methylcyclohexyl]phenyl]hexyl]-3-methylaniline
CID 22919893
4-[1-[4-[[4-[1-(4-amino-2-methylphenyl)hexyl]phenyl]methyl]phenyl]hexyl]-3-methylaniline
CID 18976792
4-[1-[4-[1-[4-[1-(4-amino-2-methylphenyl)decyl]phenyl]-4-methylcyclohexyl]phenyl]decyl]-3-methylaniline
CID 22920687
4-[1-[4-[1-[4-[1-(4-amino-2-methylphenyl)undecyl]phenyl]-4-methylcyclohexyl]phenyl]undecyl]-3-methylaniline
CID 22920763
4-[1-[4-[[4-[1-(4-amino-2-methylphenyl)undecyl]phenyl]methyl]phenyl]undecyl]-3-methylaniline
CID 18976704

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-cyclohexylphenyl)pentyl]-3-methylaniline?
The IUPAC name of 4-[1-(4-cyclohexylphenyl)pentyl]-3-methylaniline (CID 67687303) is 4-[1-(4-cyclohexylphenyl)pentyl]-3-methylaniline.
What is the SMILES notation for 4-[1-(4-cyclohexylphenyl)pentyl]-3-methylaniline?
The canonical SMILES for 4-[1-(4-cyclohexylphenyl)pentyl]-3-methylaniline is CCCCC(c1ccc(C2CCCCC2)cc1)c1ccc(N)cc1C.
What is the InChIKey of 4-[1-(4-cyclohexylphenyl)pentyl]-3-methylaniline?
The InChIKey is VVDUJVIMDIEBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N/c1-3-4-10-24(23-16-15-22(25)17-18(23)2)21-13-11-20(12-14-21)19-8-6-5-7-9-19/h11-17,19,24H,3-10,25H2,1-2H3.
What are the key properties of 4-[1-(4-cyclohexylphenyl)pentyl]-3-methylaniline?
4-[1-(4-cyclohexylphenyl)pentyl]-3-methylaniline has a molecular weight of 335.54 g/mol, XLogP of 6.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-cyclohexylphenyl)pentyl]-3-methylaniline is sourced from PubChem (CID 67687303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).