2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1-phenylethanol

C15H23NO2 — CID 113293779

IUPAC2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1-phenylethanol
SMILESOCC1(CNCC(O)c2ccccc2)CCCC1
InChIInChI=1S/C15H23NO2/c17-12-15(8-4-5-9-15)11-16-10-14(18)13-6-2-1-3-7-13/h1-3,6-7,14,16-18H,4-5,8-12H2
InChIKeyBDIJXVXPGHZFPH-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.86
Rot. Bonds6

About 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1-phenylethanol

2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1-phenylethanol (PubChem CID 113293779) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1-phenylethanol
PubChem CID113293779
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1-phenylethanol
SMILESOCC1(CNCC(O)c2ccccc2)CCCC1
InChIInChI=1S/C15H23NO2/c17-12-15(8-4-5-9-15)11-16-10-14(18)13-6-2-1-3-7-13/h1-3,6-7,14,16-18H,4-5,8-12H2
InChIKeyBDIJXVXPGHZFPH-UHFFFAOYSA-N
XLogP1.86
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1-phenylethanol
CID 114756302
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
1-(furan-2-yl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethanol
CID 115454702
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,2-diphenylacetamide
CID 110416741
[1-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclopentyl]methanol
CID 115358847
[1-[(2-phenylethylamino)methyl]cyclohexyl]methanol
CID 81411898
1-[[[(3R)-3-hydroxy-3-phenylpropyl]amino]methyl]cyclobutan-1-ol
CID 112742137
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247
1-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 6198651
(2S)-N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-phenylacetamide
CID 167798849
2-(2-methylpropylamino)-1-phenylethanol
CID 3939463
1-[(1-ethylcyclobutyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea
CID 111969619

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1-phenylethanol?
The IUPAC name of 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1-phenylethanol (CID 113293779) is 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1-phenylethanol.
What is the SMILES notation for 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1-phenylethanol?
The canonical SMILES for 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1-phenylethanol is OCC1(CNCC(O)c2ccccc2)CCCC1.
What is the InChIKey of 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1-phenylethanol?
The InChIKey is BDIJXVXPGHZFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c17-12-15(8-4-5-9-15)11-16-10-14(18)13-6-2-1-3-7-13/h1-3,6-7,14,16-18H,4-5,8-12H2.
What are the key properties of 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1-phenylethanol?
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1-phenylethanol has a molecular weight of 249.35 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1-phenylethanol is sourced from PubChem (CID 113293779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).