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

C15H23NO2 — CID 81396225

IUPAC4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxyphenol
SMILESCOc1cc(CN[C@H](C)C2CCCC2)ccc1O
InChIInChI=1S/C15H23NO2/c1-11(13-5-3-4-6-13)16-10-12-7-8-14(17)15(9-12)18-2/h7-9,11,13,16-17H,3-6,10H2,1-2H3/t11-/m1/s1
InChIKeyXAVRLULKOILSRT-LLVKDONJSA-N
MW249.35 g/mol
LogP3.07
Rot. Bonds5

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

4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxyphenol (PubChem CID 81396225) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxyphenol
PubChem CID81396225
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxyphenol
SMILESCOc1cc(CN[C@H](C)C2CCCC2)ccc1O
InChIInChI=1S/C15H23NO2/c1-11(13-5-3-4-6-13)16-10-12-7-8-14(17)15(9-12)18-2/h7-9,11,13,16-17H,3-6,10H2,1-2H3/t11-/m1/s1
InChIKeyXAVRLULKOILSRT-LLVKDONJSA-N
XLogP3.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol
CID 81391316
2-methoxy-4-[[1-(oxan-4-yl)ethylamino]methyl]phenol
CID 103779359
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62633318
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-ethoxyphenol
CID 81390490
4-[(1-cyclohexylpropylamino)methyl]-2-methoxyphenol
CID 62405202
4-[(1-cyclopentylethylamino)methyl]-2-methoxybenzonitrile
CID 106787528
(1S)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-cycloheptylethanamine
CID 81391440
2-bromo-4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-6-methoxyphenol
CID 81394414
5-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxybenzonitrile
CID 81396043
1-cyclopropyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43400202
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 63477303
(1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 81384359

Frequently Asked Questions

What is the IUPAC name of 4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxyphenol (CID 81396225) is 4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxyphenol is COc1cc(CN[C@H](C)C2CCCC2)ccc1O.
What is the InChIKey of 4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxyphenol?
The InChIKey is XAVRLULKOILSRT-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(13-5-3-4-6-13)16-10-12-7-8-14(17)15(9-12)18-2/h7-9,11,13,16-17H,3-6,10H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxyphenol?
4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxyphenol has a molecular weight of 249.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 81396225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).