N-butyl-N-[1-(4-cyclohexylphenoxy)ethyl]aniline

C24H33NO — CID 70632981

IUPACN-butyl-N-[1-(4-cyclohexylphenoxy)ethyl]aniline
SMILESCCCCN(c1ccccc1)C(C)Oc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C24H33NO/c1-3-4-19-25(23-13-9-6-10-14-23)20(2)26-24-17-15-22(16-18-24)21-11-7-5-8-12-21/h6,9-10,13-18,20-21H,3-5,7-8,11-12,19H2,1-2H3
InChIKeyXMQYBWPBVBZXOL-UHFFFAOYSA-N
MW351.53 g/mol
LogP6.77
Rot. Bonds8

About N-butyl-N-[1-(4-cyclohexylphenoxy)ethyl]aniline

N-butyl-N-[1-(4-cyclohexylphenoxy)ethyl]aniline (PubChem CID 70632981) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is N-butyl-N-[1-(4-cyclohexylphenoxy)ethyl]aniline.

Molecular Properties

Compound NameN-butyl-N-[1-(4-cyclohexylphenoxy)ethyl]aniline
PubChem CID70632981
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC NameN-butyl-N-[1-(4-cyclohexylphenoxy)ethyl]aniline
SMILESCCCCN(c1ccccc1)C(C)Oc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C24H33NO/c1-3-4-19-25(23-13-9-6-10-14-23)20(2)26-24-17-15-22(16-18-24)21-11-7-5-8-12-21/h6,9-10,13-18,20-21H,3-5,7-8,11-12,19H2,1-2H3
InChIKeyXMQYBWPBVBZXOL-UHFFFAOYSA-N
XLogP6.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.53
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-[1-(4-methylphenoxy)ethyl]aniline
CID 70632750
N-butyl-N-[1-(2-propan-2-ylphenoxy)ethyl]aniline
CID 70632939
1-cyclohexyl-4-heptoxybenzene
CID 56628106
1-cyclohexyl-4-(2-phenoxyethoxy)benzene
CID 14047825
bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium
CID 159162690
2-(N-(4-cyclohexylphenyl)anilino)phenol
CID 22356901
N'-butyl-1-cyclopentyl-N'-phenylethane-1,2-diamine
CID 104746537
cyclohexylbenzene;1,4-diethylbenzene
CID 174429743
CID 159076923
CID 159076923
N'-butyl-N-(cyclohexylmethyl)-N'-phenylethane-1,2-diamine
CID 64585447
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
1-cyclohexyl-4-methylbenzene;toluene
CID 143243711

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[1-(4-cyclohexylphenoxy)ethyl]aniline?
The IUPAC name of N-butyl-N-[1-(4-cyclohexylphenoxy)ethyl]aniline (CID 70632981) is N-butyl-N-[1-(4-cyclohexylphenoxy)ethyl]aniline.
What is the SMILES notation for N-butyl-N-[1-(4-cyclohexylphenoxy)ethyl]aniline?
The canonical SMILES for N-butyl-N-[1-(4-cyclohexylphenoxy)ethyl]aniline is CCCCN(c1ccccc1)C(C)Oc1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-butyl-N-[1-(4-cyclohexylphenoxy)ethyl]aniline?
The InChIKey is XMQYBWPBVBZXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO/c1-3-4-19-25(23-13-9-6-10-14-23)20(2)26-24-17-15-22(16-18-24)21-11-7-5-8-12-21/h6,9-10,13-18,20-21H,3-5,7-8,11-12,19H2,1-2H3.
What are the key properties of N-butyl-N-[1-(4-cyclohexylphenoxy)ethyl]aniline?
N-butyl-N-[1-(4-cyclohexylphenoxy)ethyl]aniline has a molecular weight of 351.53 g/mol, XLogP of 6.77, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[1-(4-cyclohexylphenoxy)ethyl]aniline is sourced from PubChem (CID 70632981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).