N-(dicyclohexylmethyl)-4-ethenyl-3-(4-methoxyphenyl)aniline

C28H37NO — CID 70440350

IUPACN-(dicyclohexylmethyl)-4-ethenyl-3-(4-methoxyphenyl)aniline
SMILESC=Cc1ccc(NC(C2CCCCC2)C2CCCCC2)cc1-c1ccc(OC)cc1
InChIInChI=1S/C28H37NO/c1-3-21-14-17-25(20-27(21)22-15-18-26(30-2)19-16-22)29-28(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h3,14-20,23-24,28-29H,1,4-13H2,2H3
InChIKeyVNUXMYHIJHMLAZ-UHFFFAOYSA-N
MW403.61 g/mol
LogP7.95
Rot. Bonds7

About N-(dicyclohexylmethyl)-4-ethenyl-3-(4-methoxyphenyl)aniline

N-(dicyclohexylmethyl)-4-ethenyl-3-(4-methoxyphenyl)aniline (PubChem CID 70440350) has the molecular formula C28H37NO and a molecular weight of 403.61 g/mol. Its IUPAC name is N-(dicyclohexylmethyl)-4-ethenyl-3-(4-methoxyphenyl)aniline.

Molecular Properties

Compound NameN-(dicyclohexylmethyl)-4-ethenyl-3-(4-methoxyphenyl)aniline
PubChem CID70440350
Molecular FormulaC28H37NO
Molecular Weight403.61 g/mol
Exact Mass403.29
IUPAC NameN-(dicyclohexylmethyl)-4-ethenyl-3-(4-methoxyphenyl)aniline
SMILESC=Cc1ccc(NC(C2CCCCC2)C2CCCCC2)cc1-c1ccc(OC)cc1
InChIInChI=1S/C28H37NO/c1-3-21-14-17-25(20-27(21)22-15-18-26(30-2)19-16-22)29-28(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h3,14-20,23-24,28-29H,1,4-13H2,2H3
InChIKeyVNUXMYHIJHMLAZ-UHFFFAOYSA-N
XLogP7.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.61
LogP ≤ 57.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-cyclohexylprop-2-enyl]-4-methoxyaniline
CID 102346213
N-(1-cyclohexylprop-2-enyl)-4-methoxyaniline
CID 175468474
N-[(1R)-1-cyclohexylethyl]-4-methoxyaniline
CID 101388874
N-[cyclohexyl(oxolan-2-yl)methyl]-4-methoxyaniline
CID 11369757
N-(dicyclopropylmethyl)-3,5-dimethoxyaniline
CID 43173321
N-(4-methoxyphenyl)cyclooctanamine
CID 29275692
3-(2-ethenyl-5-methoxyphenyl)thiophene
CID 172650339
(2S)-1,2-dicyclohexyl-2-(4-methoxyanilino)ethanone
CID 134950990
(1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-4-methoxyphenyl)ethanol;hydrochloride
CID 171159983
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride
CID 171160552
1-cyclohexyl-2-(4-methoxyphenyl)-N-methylethanamine
CID 54980091
1-cyclopentyl-3-(4-methoxyanilino)propan-2-ol
CID 103157166

Frequently Asked Questions

What is the IUPAC name of N-(dicyclohexylmethyl)-4-ethenyl-3-(4-methoxyphenyl)aniline?
The IUPAC name of N-(dicyclohexylmethyl)-4-ethenyl-3-(4-methoxyphenyl)aniline (CID 70440350) is N-(dicyclohexylmethyl)-4-ethenyl-3-(4-methoxyphenyl)aniline.
What is the SMILES notation for N-(dicyclohexylmethyl)-4-ethenyl-3-(4-methoxyphenyl)aniline?
The canonical SMILES for N-(dicyclohexylmethyl)-4-ethenyl-3-(4-methoxyphenyl)aniline is C=Cc1ccc(NC(C2CCCCC2)C2CCCCC2)cc1-c1ccc(OC)cc1.
What is the InChIKey of N-(dicyclohexylmethyl)-4-ethenyl-3-(4-methoxyphenyl)aniline?
The InChIKey is VNUXMYHIJHMLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37NO/c1-3-21-14-17-25(20-27(21)22-15-18-26(30-2)19-16-22)29-28(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h3,14-20,23-24,28-29H,1,4-13H2,2H3.
What are the key properties of N-(dicyclohexylmethyl)-4-ethenyl-3-(4-methoxyphenyl)aniline?
N-(dicyclohexylmethyl)-4-ethenyl-3-(4-methoxyphenyl)aniline has a molecular weight of 403.61 g/mol, XLogP of 7.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclohexylmethyl)-4-ethenyl-3-(4-methoxyphenyl)aniline is sourced from PubChem (CID 70440350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).