2-[(1S)-3-(ethoxyamino)cyclohexyl]-5-(2-methyloctan-2-yl)phenol

C23H39NO2 — CID 155332977

IUPAC2-[(1S)-3-(ethoxyamino)cyclohexyl]-5-(2-methyloctan-2-yl)phenol
SMILESCCCCCCC(C)(C)c1ccc([C@H]2CCCC(NOCC)C2)c(O)c1
InChIInChI=1S/C23H39NO2/c1-5-7-8-9-15-23(3,4)19-13-14-21(22(25)17-19)18-11-10-12-20(16-18)24-26-6-2/h13-14,17-18,20,24-25H,5-12,15-16H2,1-4H3/t18-,20?/m0/s1
InChIKeyWVVJADJZGBIQIM-LROBGIAVSA-N
MW361.57 g/mol
LogP6.21
Rot. Bonds10

About 2-[(1S)-3-(ethoxyamino)cyclohexyl]-5-(2-methyloctan-2-yl)phenol

2-[(1S)-3-(ethoxyamino)cyclohexyl]-5-(2-methyloctan-2-yl)phenol (PubChem CID 155332977) has the molecular formula C23H39NO2 and a molecular weight of 361.57 g/mol. Its IUPAC name is 2-[(1S)-3-(ethoxyamino)cyclohexyl]-5-(2-methyloctan-2-yl)phenol.

Molecular Properties

Compound Name2-[(1S)-3-(ethoxyamino)cyclohexyl]-5-(2-methyloctan-2-yl)phenol
PubChem CID155332977
Molecular FormulaC23H39NO2
Molecular Weight361.57 g/mol
Exact Mass361.30
IUPAC Name2-[(1S)-3-(ethoxyamino)cyclohexyl]-5-(2-methyloctan-2-yl)phenol
SMILESCCCCCCC(C)(C)c1ccc([C@H]2CCCC(NOCC)C2)c(O)c1
InChIInChI=1S/C23H39NO2/c1-5-7-8-9-15-23(3,4)19-13-14-21(22(25)17-19)18-11-10-12-20(16-18)24-26-6-2/h13-14,17-18,20,24-25H,5-12,15-16H2,1-4H3/t18-,20?/m0/s1
InChIKeyWVVJADJZGBIQIM-LROBGIAVSA-N
XLogP6.21
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.57
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(1S)-3-(ethoxyamino)cyclohexyl]-5-(2-methyloctan-2-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1R,3R)-3-hydroxycyclohexyl]-5-(2-methylnonan-2-yl)phenol
CID 12788232
2-[(1R,3S)-3-hydroxycyclohexyl]-5-(2-methyldodecan-2-yl)phenol
CID 12788261
2-[(1S,3R)-3-hydroxycyclohexyl]-5-(2-methylundecan-2-yl)phenol
CID 23846555
2-(3-hydroxycyclohexyl)-5-(2-methylhexan-2-yl)phenol
CID 12788248
3-[2-methyl-4-(2-methyloctan-2-yl)phenyl]cyclohexan-1-ol
CID 126594241
bis[7-[3-hydroxy-4-[(1S,3R)-3-hydroxycyclohexyl]phenyl]-7-methyloctoxy]-oxoazanium
CID 90376055
2-[(1S,2R,5R)-2-(2-hydroxyethyl)-5-methylcyclohexyl]-5-(2-methyloctan-2-yl)phenol
CID 170523034
[5-[3-hydroxy-4-[(1S,3R)-3-hydroxycyclohexyl]phenyl]-5-methylhexyl] nitrate
CID 118620599
2-[(1S,2S,5R)-2-butyl-5-hydroxycyclohexyl]-5-(2-methyloctan-2-yl)phenol
CID 54204170
cis-(3S,5R)-3-ethyl-5-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]cyclohexan-1-one
CID 12788299
2-[(1R,2S,5R)-5-hydroxy-2-methylcyclohexyl]-5-(2-methyloctan-2-yl)phenol
CID 12788220
cis-(3R,5S)-3-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-5-propylcyclohexan-1-one
CID 12788301

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-3-(ethoxyamino)cyclohexyl]-5-(2-methyloctan-2-yl)phenol?
The IUPAC name of 2-[(1S)-3-(ethoxyamino)cyclohexyl]-5-(2-methyloctan-2-yl)phenol (CID 155332977) is 2-[(1S)-3-(ethoxyamino)cyclohexyl]-5-(2-methyloctan-2-yl)phenol.
What is the SMILES notation for 2-[(1S)-3-(ethoxyamino)cyclohexyl]-5-(2-methyloctan-2-yl)phenol?
The canonical SMILES for 2-[(1S)-3-(ethoxyamino)cyclohexyl]-5-(2-methyloctan-2-yl)phenol is CCCCCCC(C)(C)c1ccc([C@H]2CCCC(NOCC)C2)c(O)c1.
What is the InChIKey of 2-[(1S)-3-(ethoxyamino)cyclohexyl]-5-(2-methyloctan-2-yl)phenol?
The InChIKey is WVVJADJZGBIQIM-LROBGIAVSA-N. The full InChI is InChI=1S/C23H39NO2/c1-5-7-8-9-15-23(3,4)19-13-14-21(22(25)17-19)18-11-10-12-20(16-18)24-26-6-2/h13-14,17-18,20,24-25H,5-12,15-16H2,1-4H3/t18-,20?/m0/s1.
What are the key properties of 2-[(1S)-3-(ethoxyamino)cyclohexyl]-5-(2-methyloctan-2-yl)phenol?
2-[(1S)-3-(ethoxyamino)cyclohexyl]-5-(2-methyloctan-2-yl)phenol has a molecular weight of 361.57 g/mol, XLogP of 6.21, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-3-(ethoxyamino)cyclohexyl]-5-(2-methyloctan-2-yl)phenol is sourced from PubChem (CID 155332977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).