2-[[2-(aminomethyl)cyclopentyl]methoxy]-1-(3-methoxyphenyl)ethanol

C16H25NO3 — CID 106940305

IUPAC2-[[2-(aminomethyl)cyclopentyl]methoxy]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)COCC2CCCC2CN)c1
InChIInChI=1S/C16H25NO3/c1-19-15-7-3-4-12(8-15)16(18)11-20-10-14-6-2-5-13(14)9-17/h3-4,7-8,13-14,16,18H,2,5-6,9-11,17H2,1H3
InChIKeyJYMQGYVBRJFAFS-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.12
Rot. Bonds7

About 2-[[2-(aminomethyl)cyclopentyl]methoxy]-1-(3-methoxyphenyl)ethanol

2-[[2-(aminomethyl)cyclopentyl]methoxy]-1-(3-methoxyphenyl)ethanol (PubChem CID 106940305) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)cyclopentyl]methoxy]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[[2-(aminomethyl)cyclopentyl]methoxy]-1-(3-methoxyphenyl)ethanol
PubChem CID106940305
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[[2-(aminomethyl)cyclopentyl]methoxy]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)COCC2CCCC2CN)c1
InChIInChI=1S/C16H25NO3/c1-19-15-7-3-4-12(8-15)16(18)11-20-10-14-6-2-5-13(14)9-17/h3-4,7-8,13-14,16,18H,2,5-6,9-11,17H2,1H3
InChIKeyJYMQGYVBRJFAFS-UHFFFAOYSA-N
XLogP2.12
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol
CID 112588838
[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl] 2,2-dimethylpropanoate
CID 135065936
2-[2-(dimethylamino)ethoxy]-1-(3-methoxyphenyl)ethanol
CID 10263644
1-(cyclobutylmethyl)-2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]guanidine
CID 111803150
(1S)-2-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 70378403
(1R)-1-(3-methoxyphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol;hydrochloride
CID 70591371
2-[3-(1-aminoethyl)phenoxy]-1-(3-methoxyphenyl)ethanol
CID 81134404
1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol
CID 63892362
1-(3-cyclopropyloxyphenyl)-2-propoxyethanol
CID 114521314
2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)ethanamine
CID 16642768
2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 81134628
1-(3-methoxyphenyl)-2-[(2-propan-2-ylcyclohexyl)amino]ethanol
CID 81338115

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)cyclopentyl]methoxy]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[[2-(aminomethyl)cyclopentyl]methoxy]-1-(3-methoxyphenyl)ethanol (CID 106940305) is 2-[[2-(aminomethyl)cyclopentyl]methoxy]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[[2-(aminomethyl)cyclopentyl]methoxy]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[[2-(aminomethyl)cyclopentyl]methoxy]-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)COCC2CCCC2CN)c1.
What is the InChIKey of 2-[[2-(aminomethyl)cyclopentyl]methoxy]-1-(3-methoxyphenyl)ethanol?
The InChIKey is JYMQGYVBRJFAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-19-15-7-3-4-12(8-15)16(18)11-20-10-14-6-2-5-13(14)9-17/h3-4,7-8,13-14,16,18H,2,5-6,9-11,17H2,1H3.
What are the key properties of 2-[[2-(aminomethyl)cyclopentyl]methoxy]-1-(3-methoxyphenyl)ethanol?
2-[[2-(aminomethyl)cyclopentyl]methoxy]-1-(3-methoxyphenyl)ethanol has a molecular weight of 279.38 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)cyclopentyl]methoxy]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 106940305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).