N-(2-cyclohexylethyl)-4-hexoxyaniline

C20H33NO — CID 83961487

IUPACN-(2-cyclohexylethyl)-4-hexoxyaniline
SMILESCCCCCCOc1ccc(NCCC2CCCCC2)cc1
InChIInChI=1S/C20H33NO/c1-2-3-4-8-17-22-20-13-11-19(12-14-20)21-16-15-18-9-6-5-7-10-18/h11-14,18,21H,2-10,15-17H2,1H3
InChIKeyYZBXWOYBSMCEAB-UHFFFAOYSA-N
MW303.49 g/mol
LogP6.03
Rot. Bonds10

About N-(2-cyclohexylethyl)-4-hexoxyaniline

N-(2-cyclohexylethyl)-4-hexoxyaniline (PubChem CID 83961487) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-4-hexoxyaniline.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-4-hexoxyaniline
PubChem CID83961487
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC NameN-(2-cyclohexylethyl)-4-hexoxyaniline
SMILESCCCCCCOc1ccc(NCCC2CCCCC2)cc1
InChIInChI=1S/C20H33NO/c1-2-3-4-8-17-22-20-13-11-19(12-14-20)21-16-15-18-9-6-5-7-10-18/h11-14,18,21H,2-10,15-17H2,1H3
InChIKeyYZBXWOYBSMCEAB-UHFFFAOYSA-N
XLogP6.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-cyclohexylethoxy)phenyl]-4-heptoxybenzamide
CID 17137747
1-(cyclohexylmethoxy)-4-pentoxybenzene
CID 90350366
1-(2-cyclohexylethyl)-4-(4-heptoxyphenyl)benzene
CID 173349748
1-(2-cyclohexylethyl)-4-(4-undecoxyphenyl)benzene
CID 173349817
N'-tert-butyl-N-(4-hexoxyphenyl)ethane-1,2-diamine
CID 54806949
1-octoxy-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 54461890
4-butoxy-N-butylaniline
CID 15112153
N-butyl-N'-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54807141
N'-(4-heptoxyphenyl)-N-heptylethane-1,2-diamine
CID 54807015
2-cyclopentyl-N-(4-hexoxyphenyl)acetamide
CID 54786135
1-butoxy-4-[3-(4-heptylcyclohexyl)propoxy]benzene
CID 19738947
1-cyclohexyl-4-heptoxybenzene
CID 56628106

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-4-hexoxyaniline?
The IUPAC name of N-(2-cyclohexylethyl)-4-hexoxyaniline (CID 83961487) is N-(2-cyclohexylethyl)-4-hexoxyaniline.
What is the SMILES notation for N-(2-cyclohexylethyl)-4-hexoxyaniline?
The canonical SMILES for N-(2-cyclohexylethyl)-4-hexoxyaniline is CCCCCCOc1ccc(NCCC2CCCCC2)cc1.
What is the InChIKey of N-(2-cyclohexylethyl)-4-hexoxyaniline?
The InChIKey is YZBXWOYBSMCEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-2-3-4-8-17-22-20-13-11-19(12-14-20)21-16-15-18-9-6-5-7-10-18/h11-14,18,21H,2-10,15-17H2,1H3.
What are the key properties of N-(2-cyclohexylethyl)-4-hexoxyaniline?
N-(2-cyclohexylethyl)-4-hexoxyaniline has a molecular weight of 303.49 g/mol, XLogP of 6.03, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-4-hexoxyaniline is sourced from PubChem (CID 83961487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).