2-(cycloheptylamino)-2-(4-methoxy-3-methylphenyl)ethanol

C17H27NO2 — CID 62132634

IUPAC2-(cycloheptylamino)-2-(4-methoxy-3-methylphenyl)ethanol
SMILESCOc1ccc(C(CO)NC2CCCCCC2)cc1C
InChIInChI=1S/C17H27NO2/c1-13-11-14(9-10-17(13)20-2)16(12-19)18-15-7-5-3-4-6-8-15/h9-11,15-16,18-19H,3-8,12H2,1-2H3
InChIKeyXSKFRLTZFVUOHR-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.35
Rot. Bonds5

About 2-(cycloheptylamino)-2-(4-methoxy-3-methylphenyl)ethanol

2-(cycloheptylamino)-2-(4-methoxy-3-methylphenyl)ethanol (PubChem CID 62132634) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(cycloheptylamino)-2-(4-methoxy-3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(cycloheptylamino)-2-(4-methoxy-3-methylphenyl)ethanol
PubChem CID62132634
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(cycloheptylamino)-2-(4-methoxy-3-methylphenyl)ethanol
SMILESCOc1ccc(C(CO)NC2CCCCCC2)cc1C
InChIInChI=1S/C17H27NO2/c1-13-11-14(9-10-17(13)20-2)16(12-19)18-15-7-5-3-4-6-8-15/h9-11,15-16,18-19H,3-8,12H2,1-2H3
InChIKeyXSKFRLTZFVUOHR-UHFFFAOYSA-N
XLogP3.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cycloheptylamino)-2-(3,4-dimethylphenyl)ethanol
CID 61055162
2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 65101361
2-(4-methoxy-3-methylphenyl)-2-(methylamino)ethanol
CID 62132456
2-(cyclohexylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile
CID 62132442
4-[1-(cycloheptylamino)-2-hydroxyethyl]-2-ethoxyphenol
CID 61054148
2-(cycloheptylamino)-2-(2-methoxyphenyl)ethanol
CID 61055556
2-cycloheptyl-1-(4-methoxy-3-methylphenyl)ethanol
CID 114458561
2-(cyclopentylamino)-2-(2,4,5-trimethoxyphenyl)ethanol
CID 61056380
2-(2-bromo-4,5-dimethoxyphenyl)-2-(cyclohexylamino)ethanol
CID 61047473
2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)ethanol
CID 61056168
2-(cyclohexylamino)-2-(3-ethoxyphenyl)ethanol
CID 61047485
[bromo-(4-methoxy-3-methylphenyl)methyl]cyclooctane
CID 65020989

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-2-(4-methoxy-3-methylphenyl)ethanol?
The IUPAC name of 2-(cycloheptylamino)-2-(4-methoxy-3-methylphenyl)ethanol (CID 62132634) is 2-(cycloheptylamino)-2-(4-methoxy-3-methylphenyl)ethanol.
What is the SMILES notation for 2-(cycloheptylamino)-2-(4-methoxy-3-methylphenyl)ethanol?
The canonical SMILES for 2-(cycloheptylamino)-2-(4-methoxy-3-methylphenyl)ethanol is COc1ccc(C(CO)NC2CCCCCC2)cc1C.
What is the InChIKey of 2-(cycloheptylamino)-2-(4-methoxy-3-methylphenyl)ethanol?
The InChIKey is XSKFRLTZFVUOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13-11-14(9-10-17(13)20-2)16(12-19)18-15-7-5-3-4-6-8-15/h9-11,15-16,18-19H,3-8,12H2,1-2H3.
What are the key properties of 2-(cycloheptylamino)-2-(4-methoxy-3-methylphenyl)ethanol?
2-(cycloheptylamino)-2-(4-methoxy-3-methylphenyl)ethanol has a molecular weight of 277.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-2-(4-methoxy-3-methylphenyl)ethanol is sourced from PubChem (CID 62132634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).