2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-methoxyphenol

C16H26N2O2 — CID 79115140

IUPAC2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-methoxyphenol
SMILESCCN(Cc1cc(OC)ccc1O)C1CCC(N)CC1
InChIInChI=1S/C16H26N2O2/c1-3-18(14-6-4-13(17)5-7-14)11-12-10-15(20-2)8-9-16(12)19/h8-10,13-14,19H,3-7,11,17H2,1-2H3
InChIKeyGEWQNZLSOXAZDD-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.49
Rot. Bonds5

About 2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-methoxyphenol

2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-methoxyphenol (PubChem CID 79115140) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-methoxyphenol
PubChem CID79115140
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-methoxyphenol
SMILESCCN(Cc1cc(OC)ccc1O)C1CCC(N)CC1
InChIInChI=1S/C16H26N2O2/c1-3-18(14-6-4-13(17)5-7-14)11-12-10-15(20-2)8-9-16(12)19/h8-10,13-14,19H,3-7,11,17H2,1-2H3
InChIKeyGEWQNZLSOXAZDD-UHFFFAOYSA-N
XLogP2.49
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[azetidin-3-yl(ethyl)amino]methyl]-4-methoxyphenol
CID 66182943
2-[[(4-aminocyclohexyl)-ethylamino]methyl]-6-methoxyphenol
CID 79115913
4-N-ethyl-4-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 79115454
2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-chloro-6-methoxyphenol
CID 104666546
4-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-chlorophenol
CID 79115137
2-[[cyclopentyl(ethyl)amino]methyl]-4-methylphenol
CID 82976860
2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113
4-N-ethyl-4-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 79115451
N-[[2-(3-aminoprop-1-ynyl)-5-methoxyphenyl]methyl]-N-ethylcyclopentanamine
CID 65325687
4-N-[(2,4-dimethoxyphenyl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121517
[2-[[butyl(cyclopropyl)amino]methyl]-4-methoxyphenyl]boronic acid
CID 65327871
3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline
CID 43263758

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-methoxyphenol?
The IUPAC name of 2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-methoxyphenol (CID 79115140) is 2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-methoxyphenol?
The canonical SMILES for 2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-methoxyphenol is CCN(Cc1cc(OC)ccc1O)C1CCC(N)CC1.
What is the InChIKey of 2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-methoxyphenol?
The InChIKey is GEWQNZLSOXAZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-18(14-6-4-13(17)5-7-14)11-12-10-15(20-2)8-9-16(12)19/h8-10,13-14,19H,3-7,11,17H2,1-2H3.
What are the key properties of 2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-methoxyphenol?
2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-methoxyphenol has a molecular weight of 278.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-methoxyphenol is sourced from PubChem (CID 79115140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).