4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol

C17H27NO2 — CID 81391316

IUPAC4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol
SMILESCOc1cc(CN[C@H](C)C2CCCCCC2)ccc1O
InChIInChI=1S/C17H27NO2/c1-13(15-7-5-3-4-6-8-15)18-12-14-9-10-16(19)17(11-14)20-2/h9-11,13,15,18-19H,3-8,12H2,1-2H3/t13-/m1/s1
InChIKeyHLJFMGKZQWLMGR-CYBMUJFWSA-N
MW277.41 g/mol
LogP3.85
Rot. Bonds5

About 4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol

4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol (PubChem CID 81391316) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol
PubChem CID81391316
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol
SMILESCOc1cc(CN[C@H](C)C2CCCCCC2)ccc1O
InChIInChI=1S/C17H27NO2/c1-13(15-7-5-3-4-6-8-15)18-12-14-9-10-16(19)17(11-14)20-2/h9-11,13,15,18-19H,3-8,12H2,1-2H3/t13-/m1/s1
InChIKeyHLJFMGKZQWLMGR-CYBMUJFWSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol 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

4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxyphenol
CID 81396225
2-methoxy-4-[[1-(oxan-4-yl)ethylamino]methyl]phenol
CID 103779359
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-ethoxyphenol
CID 81390490
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62633318
4-[(1-cyclohexylpropylamino)methyl]-2-methoxyphenol
CID 62405202
(1S)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-cycloheptylethanamine
CID 81391440
4-[(1-cyclopentylethylamino)methyl]-2-methoxybenzonitrile
CID 106787528
2-bromo-4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-6-methoxyphenol
CID 81394414
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 63477303
(1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 81384359
5-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxybenzonitrile
CID 81396043
1-cyclopropyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43400202

Frequently Asked Questions

What is the IUPAC name of 4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol (CID 81391316) is 4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol is COc1cc(CN[C@H](C)C2CCCCCC2)ccc1O.
What is the InChIKey of 4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol?
The InChIKey is HLJFMGKZQWLMGR-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(15-7-5-3-4-6-8-15)18-12-14-9-10-16(19)17(11-14)20-2/h9-11,13,15,18-19H,3-8,12H2,1-2H3/t13-/m1/s1.
What are the key properties of 4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol?
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol has a molecular weight of 277.41 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 81391316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).