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

C18H29NO2 — CID 81390490

IUPAC4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-ethoxyphenol
SMILESCCOc1cc(CN[C@H](C)C2CCCCCC2)ccc1O
InChIInChI=1S/C18H29NO2/c1-3-21-18-12-15(10-11-17(18)20)13-19-14(2)16-8-6-4-5-7-9-16/h10-12,14,16,19-20H,3-9,13H2,1-2H3/t14-/m1/s1
InChIKeyBUWKKYGRXFTNDM-CQSZACIVSA-N
MW291.44 g/mol
LogP4.24
Rot. Bonds6

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

4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-ethoxyphenol (PubChem CID 81390490) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-ethoxyphenol.

Molecular Properties

Compound Name4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-ethoxyphenol
PubChem CID81390490
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-ethoxyphenol
SMILESCCOc1cc(CN[C@H](C)C2CCCCCC2)ccc1O
InChIInChI=1S/C18H29NO2/c1-3-21-18-12-15(10-11-17(18)20)13-19-14(2)16-8-6-4-5-7-9-16/h10-12,14,16,19-20H,3-9,13H2,1-2H3/t14-/m1/s1
InChIKeyBUWKKYGRXFTNDM-CQSZACIVSA-N
XLogP4.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol
CID 81391316
4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxyphenol
CID 81396225
(1S)-1-cycloheptyl-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 81389655
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62633318
2-methoxy-4-[[1-(oxan-4-yl)ethylamino]methyl]phenol
CID 103779359
4-[(1-cyclohexylpropylamino)methyl]-2-methoxyphenol
CID 62405202
4-[(but-3-yn-2-ylamino)methyl]-2-ethoxyphenol
CID 114415445
(1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81387895
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 63477303
(1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 81384359
2-ethoxy-4-[[[(1S,3R)-3-hydroxycyclohexyl]amino]methyl]phenol
CID 155509277
(1S)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-cycloheptylethanamine
CID 81391440

Frequently Asked Questions

What is the IUPAC name of 4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-ethoxyphenol?
The IUPAC name of 4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-ethoxyphenol (CID 81390490) is 4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-ethoxyphenol.
What is the SMILES notation for 4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-ethoxyphenol?
The canonical SMILES for 4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-ethoxyphenol is CCOc1cc(CN[C@H](C)C2CCCCCC2)ccc1O.
What is the InChIKey of 4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-ethoxyphenol?
The InChIKey is BUWKKYGRXFTNDM-CQSZACIVSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-21-18-12-15(10-11-17(18)20)13-19-14(2)16-8-6-4-5-7-9-16/h10-12,14,16,19-20H,3-9,13H2,1-2H3/t14-/m1/s1.
What are the key properties of 4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-ethoxyphenol?
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-ethoxyphenol has a molecular weight of 291.44 g/mol, XLogP of 4.24, 6 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-ethoxyphenol is sourced from PubChem (CID 81390490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).