2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-6-methoxyphenol

C17H27NO2 — CID 81389459

IUPAC2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-6-methoxyphenol
SMILESCOc1cccc(CN[C@H](C)C2CCCCCC2)c1O
InChIInChI=1S/C17H27NO2/c1-13(14-8-5-3-4-6-9-14)18-12-15-10-7-11-16(20-2)17(15)19/h7,10-11,13-14,18-19H,3-6,8-9,12H2,1-2H3/t13-/m1/s1
InChIKeyDRDYTDIQFTXBSW-CYBMUJFWSA-N
MW277.41 g/mol
LogP3.85
Rot. Bonds5

About 2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-6-methoxyphenol

2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-6-methoxyphenol (PubChem CID 81389459) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-6-methoxyphenol
PubChem CID81389459
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-6-methoxyphenol
SMILESCOc1cccc(CN[C@H](C)C2CCCCCC2)c1O
InChIInChI=1S/C17H27NO2/c1-13(14-8-5-3-4-6-9-14)18-12-15-10-7-11-16(20-2)17(15)19/h7,10-11,13-14,18-19H,3-6,8-9,12H2,1-2H3/t13-/m1/s1
InChIKeyDRDYTDIQFTXBSW-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

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-cycloheptyl-N-[(2,3-dimethoxyphenyl)methyl]ethanamine
CID 81391569
2-[[[(1S)-1-cyclohexylethyl]amino]methyl]-6-methylphenol
CID 113355725
2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol
CID 81386738
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]benzene-1,2,3-triol
CID 107730932
2-bromo-6-[(1-cyclopropylethylamino)methyl]phenol
CID 61390496
methyl 2-[2-[[[(1R)-1-cyclohexylethyl]amino]methyl]phenyl]acetate
CID 115462242
methyl 2-[[[(1S)-1-cyclohexylethyl]amino]methyl]benzoate
CID 81386969
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol
CID 81391316
(1R)-1-cyclohexyl-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 81384352
(1R)-1-cyclopentyl-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 81395717
1-cyclohexyl-N-(naphthalen-1-ylmethyl)ethanamine
CID 63477824
(1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclohexylethanamine
CID 81388553

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-6-methoxyphenol?
The IUPAC name of 2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-6-methoxyphenol (CID 81389459) is 2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-6-methoxyphenol is COc1cccc(CN[C@H](C)C2CCCCCC2)c1O.
What is the InChIKey of 2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-6-methoxyphenol?
The InChIKey is DRDYTDIQFTXBSW-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(14-8-5-3-4-6-9-14)18-12-15-10-7-11-16(20-2)17(15)19/h7,10-11,13-14,18-19H,3-6,8-9,12H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-6-methoxyphenol?
2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-6-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 2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-6-methoxyphenol is sourced from PubChem (CID 81389459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).