2-[[(4-aminocyclohexyl)-ethylamino]methyl]-6-methoxyphenol

C16H26N2O2 — CID 79115913

IUPAC2-[[(4-aminocyclohexyl)-ethylamino]methyl]-6-methoxyphenol
SMILESCCN(Cc1cccc(OC)c1O)C1CCC(N)CC1
InChIInChI=1S/C16H26N2O2/c1-3-18(14-9-7-13(17)8-10-14)11-12-5-4-6-15(20-2)16(12)19/h4-6,13-14,19H,3,7-11,17H2,1-2H3
InChIKeyYNSBNKQOGVSGBA-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.49
Rot. Bonds5

About 2-[[(4-aminocyclohexyl)-ethylamino]methyl]-6-methoxyphenol

2-[[(4-aminocyclohexyl)-ethylamino]methyl]-6-methoxyphenol (PubChem CID 79115913) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[[(4-aminocyclohexyl)-ethylamino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[[(4-aminocyclohexyl)-ethylamino]methyl]-6-methoxyphenol
PubChem CID79115913
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[[(4-aminocyclohexyl)-ethylamino]methyl]-6-methoxyphenol
SMILESCCN(Cc1cccc(OC)c1O)C1CCC(N)CC1
InChIInChI=1S/C16H26N2O2/c1-3-18(14-9-7-13(17)8-10-14)11-12-5-4-6-15(20-2)16(12)19/h4-6,13-14,19H,3,7-11,17H2,1-2H3
InChIKeyYNSBNKQOGVSGBA-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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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-aminocyclohexyl)-ethylamino]methyl]-6-methoxyphenol?
The IUPAC name of 2-[[(4-aminocyclohexyl)-ethylamino]methyl]-6-methoxyphenol (CID 79115913) is 2-[[(4-aminocyclohexyl)-ethylamino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[[(4-aminocyclohexyl)-ethylamino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[[(4-aminocyclohexyl)-ethylamino]methyl]-6-methoxyphenol is CCN(Cc1cccc(OC)c1O)C1CCC(N)CC1.
What is the InChIKey of 2-[[(4-aminocyclohexyl)-ethylamino]methyl]-6-methoxyphenol?
The InChIKey is YNSBNKQOGVSGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-18(14-9-7-13(17)8-10-14)11-12-5-4-6-15(20-2)16(12)19/h4-6,13-14,19H,3,7-11,17H2,1-2H3.
What are the key properties of 2-[[(4-aminocyclohexyl)-ethylamino]methyl]-6-methoxyphenol?
2-[[(4-aminocyclohexyl)-ethylamino]methyl]-6-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]-6-methoxyphenol is sourced from PubChem (CID 79115913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).