2-amino-4-[4-[ethyl(3-phenylpropyl)amino]cyclohexyl]-3-methylphenol

C24H34N2O — CID 174447370

IUPAC2-amino-4-[4-[ethyl(3-phenylpropyl)amino]cyclohexyl]-3-methylphenol
SMILESCCN(CCCc1ccccc1)C1CCC(c2ccc(O)c(N)c2C)CC1
InChIInChI=1S/C24H34N2O/c1-3-26(17-7-10-19-8-5-4-6-9-19)21-13-11-20(12-14-21)22-15-16-23(27)24(25)18(22)2/h4-6,8-9,15-16,20-21,27H,3,7,10-14,17,25H2,1-2H3
InChIKeyUSYNVEJAYAPYQK-UHFFFAOYSA-N
MW366.55 g/mol
LogP5.26
Rot. Bonds7

About 2-amino-4-[4-[ethyl(3-phenylpropyl)amino]cyclohexyl]-3-methylphenol

2-amino-4-[4-[ethyl(3-phenylpropyl)amino]cyclohexyl]-3-methylphenol (PubChem CID 174447370) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is 2-amino-4-[4-[ethyl(3-phenylpropyl)amino]cyclohexyl]-3-methylphenol.

Molecular Properties

Compound Name2-amino-4-[4-[ethyl(3-phenylpropyl)amino]cyclohexyl]-3-methylphenol
PubChem CID174447370
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC Name2-amino-4-[4-[ethyl(3-phenylpropyl)amino]cyclohexyl]-3-methylphenol
SMILESCCN(CCCc1ccccc1)C1CCC(c2ccc(O)c(N)c2C)CC1
InChIInChI=1S/C24H34N2O/c1-3-26(17-7-10-19-8-5-4-6-9-19)21-13-11-20(12-14-21)22-15-16-23(27)24(25)18(22)2/h4-6,8-9,15-16,20-21,27H,3,7,10-14,17,25H2,1-2H3
InChIKeyUSYNVEJAYAPYQK-UHFFFAOYSA-N
XLogP5.26
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-(4-phenylmethoxyphenyl)-N-(3-phenylpropyl)cyclohexan-1-amine
CID 21260497
N-ethyl-N-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61233061
4-[3-[cyclohexyl(ethyl)amino]propyl]aniline
CID 115341723
3-[cyclopropyl(3-phenylpropyl)amino]propanoic acid
CID 60838690
4-N-benzyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine
CID 23882631
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethyl-2-(3-phenylpropyl)guanidine
CID 111199136
4-N-methyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine
CID 79121272
1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(2-phenylethyl)guanidine
CID 111134879
N-butyl-1-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine
CID 24857477
N,N,N'-triethyl-N'-(4-phenylcyclohexyl)ethane-1,2-diamine
CID 2053830
N-ethyl-N-(2-phenylethyl)azetidin-3-amine
CID 66182276
2-(aminomethyl)-N-ethyl-N-(4-phenylbutyl)cyclopentan-1-amine
CID 114334223

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-[ethyl(3-phenylpropyl)amino]cyclohexyl]-3-methylphenol?
The IUPAC name of 2-amino-4-[4-[ethyl(3-phenylpropyl)amino]cyclohexyl]-3-methylphenol (CID 174447370) is 2-amino-4-[4-[ethyl(3-phenylpropyl)amino]cyclohexyl]-3-methylphenol.
What is the SMILES notation for 2-amino-4-[4-[ethyl(3-phenylpropyl)amino]cyclohexyl]-3-methylphenol?
The canonical SMILES for 2-amino-4-[4-[ethyl(3-phenylpropyl)amino]cyclohexyl]-3-methylphenol is CCN(CCCc1ccccc1)C1CCC(c2ccc(O)c(N)c2C)CC1.
What is the InChIKey of 2-amino-4-[4-[ethyl(3-phenylpropyl)amino]cyclohexyl]-3-methylphenol?
The InChIKey is USYNVEJAYAPYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O/c1-3-26(17-7-10-19-8-5-4-6-9-19)21-13-11-20(12-14-21)22-15-16-23(27)24(25)18(22)2/h4-6,8-9,15-16,20-21,27H,3,7,10-14,17,25H2,1-2H3.
What are the key properties of 2-amino-4-[4-[ethyl(3-phenylpropyl)amino]cyclohexyl]-3-methylphenol?
2-amino-4-[4-[ethyl(3-phenylpropyl)amino]cyclohexyl]-3-methylphenol has a molecular weight of 366.55 g/mol, XLogP of 5.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-[ethyl(3-phenylpropyl)amino]cyclohexyl]-3-methylphenol is sourced from PubChem (CID 174447370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).