2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1-phenylethanol

C14H21NO2 — CID 114756302

IUPAC2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1-phenylethanol
SMILESOCCC1(CNCC(O)c2ccccc2)CC1
InChIInChI=1S/C14H21NO2/c16-9-8-14(6-7-14)11-15-10-13(17)12-4-2-1-3-5-12/h1-5,13,15-17H,6-11H2
InChIKeySYJRPMWQYZAQER-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.47
Rot. Bonds7

About 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1-phenylethanol

2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1-phenylethanol (PubChem CID 114756302) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1-phenylethanol
PubChem CID114756302
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1-phenylethanol
SMILESOCCC1(CNCC(O)c2ccccc2)CC1
InChIInChI=1S/C14H21NO2/c16-9-8-14(6-7-14)11-15-10-13(17)12-4-2-1-3-5-12/h1-5,13,15-17H,6-11H2
InChIKeySYJRPMWQYZAQER-UHFFFAOYSA-N
XLogP1.47
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1-phenylethanol
CID 113293779
1-(3,4-difluorophenyl)-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethanol
CID 114756441
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
2-[1-[(2-phenylsulfanylethylamino)methyl]cyclopropyl]ethanol
CID 114756288
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247
1-(furan-2-yl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethanol
CID 115454702
2-(2-methylpropylamino)-1-phenylethanol
CID 3939463
N-benzyl-2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]acetamide
CID 114756431
1-(dimethylamino)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol
CID 114756465
1-(3-chlorophenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol
CID 114756333
(1R)-1-phenyl-2-(2-phenylpropylamino)ethanol
CID 67763390
1-phenyl-2-(2-phenylpropylamino)ethanol
CID 17158257

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1-phenylethanol?
The IUPAC name of 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1-phenylethanol (CID 114756302) is 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1-phenylethanol.
What is the SMILES notation for 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1-phenylethanol?
The canonical SMILES for 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1-phenylethanol is OCCC1(CNCC(O)c2ccccc2)CC1.
What is the InChIKey of 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1-phenylethanol?
The InChIKey is SYJRPMWQYZAQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-9-8-14(6-7-14)11-15-10-13(17)12-4-2-1-3-5-12/h1-5,13,15-17H,6-11H2.
What are the key properties of 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1-phenylethanol?
2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1-phenylethanol has a molecular weight of 235.33 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1-phenylethanol is sourced from PubChem (CID 114756302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).