2-methoxy-4-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol

C17H27NO2 — CID 82982306

IUPAC2-methoxy-4-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol
SMILESCOc1cc(C(C)N(C)C2CCCC(C)C2)ccc1O
InChIInChI=1S/C17H27NO2/c1-12-6-5-7-15(10-12)18(3)13(2)14-8-9-16(19)17(11-14)20-4/h8-9,11-13,15,19H,5-7,10H2,1-4H3
InChIKeyKQXCRTHREHCJAC-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.97
Rot. Bonds4

About 2-methoxy-4-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol

2-methoxy-4-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol (PubChem CID 82982306) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-methoxy-4-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol
PubChem CID82982306
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-methoxy-4-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol
SMILESCOc1cc(C(C)N(C)C2CCCC(C)C2)ccc1O
InChIInChI=1S/C17H27NO2/c1-12-6-5-7-15(10-12)18(3)13(2)14-8-9-16(19)17(11-14)20-4/h8-9,11-13,15,19H,5-7,10H2,1-4H3
InChIKeyKQXCRTHREHCJAC-UHFFFAOYSA-N
XLogP3.97
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol?
The IUPAC name of 2-methoxy-4-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol (CID 82982306) is 2-methoxy-4-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol?
The canonical SMILES for 2-methoxy-4-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol is COc1cc(C(C)N(C)C2CCCC(C)C2)ccc1O.
What is the InChIKey of 2-methoxy-4-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol?
The InChIKey is KQXCRTHREHCJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12-6-5-7-15(10-12)18(3)13(2)14-8-9-16(19)17(11-14)20-4/h8-9,11-13,15,19H,5-7,10H2,1-4H3.
What are the key properties of 2-methoxy-4-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol?
2-methoxy-4-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol has a molecular weight of 277.41 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol is sourced from PubChem (CID 82982306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).