2-[(1R)-2-amino-1-[1-(hydroxymethyl)cyclopentyl]ethyl]phenol

C14H21NO2 — CID 125454175

IUPAC2-[(1R)-2-amino-1-[1-(hydroxymethyl)cyclopentyl]ethyl]phenol
SMILESNC[C@@H](c1ccccc1O)C1(CO)CCCC1
InChIInChI=1S/C14H21NO2/c15-9-12(11-5-1-2-6-13(11)17)14(10-16)7-3-4-8-14/h1-2,5-6,12,16-17H,3-4,7-10,15H2/t12-/m0/s1
InChIKeyZODLFVWPGXHLDE-LBPRGKRZSA-N
MW235.33 g/mol
LogP1.99
Rot. Bonds4

About 2-[(1R)-2-amino-1-[1-(hydroxymethyl)cyclopentyl]ethyl]phenol

2-[(1R)-2-amino-1-[1-(hydroxymethyl)cyclopentyl]ethyl]phenol (PubChem CID 125454175) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(1R)-2-amino-1-[1-(hydroxymethyl)cyclopentyl]ethyl]phenol.

Molecular Properties

Compound Name2-[(1R)-2-amino-1-[1-(hydroxymethyl)cyclopentyl]ethyl]phenol
PubChem CID125454175
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[(1R)-2-amino-1-[1-(hydroxymethyl)cyclopentyl]ethyl]phenol
SMILESNC[C@@H](c1ccccc1O)C1(CO)CCCC1
InChIInChI=1S/C14H21NO2/c15-9-12(11-5-1-2-6-13(11)17)14(10-16)7-3-4-8-14/h1-2,5-6,12,16-17H,3-4,7-10,15H2/t12-/m0/s1
InChIKeyZODLFVWPGXHLDE-LBPRGKRZSA-N
XLogP1.99
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(1R)-2-amino-1-(2-methylphenyl)ethyl]cyclopentyl]methanol
CID 125454181
2-[[1-(aminomethyl)cyclobutyl]-fluoromethyl]phenol
CID 105463099
4-[(1S)-2-amino-1-[1-(hydroxymethyl)cyclobutyl]ethyl]phenol
CID 125454143
2-[[1-(aminomethyl)cyclohexyl]-fluoromethyl]phenol
CID 105499407
2-[[1-(aminomethyl)cyclobutyl]-hydroxymethyl]phenol
CID 105460570
1-[(1S)-2-amino-1-(2-methylphenyl)ethyl]cyclopentane-1-carboxylic acid
CID 125452234
[1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol
CID 116944249
2-[1,4-diamino-3-(2-hydroxyphenyl)butan-2-yl]phenol
CID 170875368
1-[(1S)-2-amino-1-(2-cyanophenyl)ethyl]cyclopentane-1-carboxylic acid
CID 125454135
2-(1-aminopropan-2-yl)phenol
CID 3028046
1-[(1S)-2-amino-1-(2-cyanophenyl)ethyl]cyclobutane-1-carboxylic acid
CID 125452888
2-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol
CID 115047799

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-amino-1-[1-(hydroxymethyl)cyclopentyl]ethyl]phenol?
The IUPAC name of 2-[(1R)-2-amino-1-[1-(hydroxymethyl)cyclopentyl]ethyl]phenol (CID 125454175) is 2-[(1R)-2-amino-1-[1-(hydroxymethyl)cyclopentyl]ethyl]phenol.
What is the SMILES notation for 2-[(1R)-2-amino-1-[1-(hydroxymethyl)cyclopentyl]ethyl]phenol?
The canonical SMILES for 2-[(1R)-2-amino-1-[1-(hydroxymethyl)cyclopentyl]ethyl]phenol is NC[C@@H](c1ccccc1O)C1(CO)CCCC1.
What is the InChIKey of 2-[(1R)-2-amino-1-[1-(hydroxymethyl)cyclopentyl]ethyl]phenol?
The InChIKey is ZODLFVWPGXHLDE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21NO2/c15-9-12(11-5-1-2-6-13(11)17)14(10-16)7-3-4-8-14/h1-2,5-6,12,16-17H,3-4,7-10,15H2/t12-/m0/s1.
What are the key properties of 2-[(1R)-2-amino-1-[1-(hydroxymethyl)cyclopentyl]ethyl]phenol?
2-[(1R)-2-amino-1-[1-(hydroxymethyl)cyclopentyl]ethyl]phenol has a molecular weight of 235.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-amino-1-[1-(hydroxymethyl)cyclopentyl]ethyl]phenol is sourced from PubChem (CID 125454175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).