4-[(1S)-2-amino-1-[1-(hydroxymethyl)cyclobutyl]ethyl]phenol

C13H19NO2 — CID 125454143

IUPAC4-[(1S)-2-amino-1-[1-(hydroxymethyl)cyclobutyl]ethyl]phenol
SMILESNC[C@@H](c1ccc(O)cc1)C1(CO)CCC1
InChIInChI=1S/C13H19NO2/c14-8-12(13(9-15)6-1-7-13)10-2-4-11(16)5-3-10/h2-5,12,15-16H,1,6-9,14H2/t12-/m0/s1
InChIKeyYOZHZLVQNKJBEI-LBPRGKRZSA-N
MW221.30 g/mol
LogP1.60
Rot. Bonds4

About 4-[(1S)-2-amino-1-[1-(hydroxymethyl)cyclobutyl]ethyl]phenol

4-[(1S)-2-amino-1-[1-(hydroxymethyl)cyclobutyl]ethyl]phenol (PubChem CID 125454143) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[(1S)-2-amino-1-[1-(hydroxymethyl)cyclobutyl]ethyl]phenol.

Molecular Properties

Compound Name4-[(1S)-2-amino-1-[1-(hydroxymethyl)cyclobutyl]ethyl]phenol
PubChem CID125454143
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-[(1S)-2-amino-1-[1-(hydroxymethyl)cyclobutyl]ethyl]phenol
SMILESNC[C@@H](c1ccc(O)cc1)C1(CO)CCC1
InChIInChI=1S/C13H19NO2/c14-8-12(13(9-15)6-1-7-13)10-2-4-11(16)5-3-10/h2-5,12,15-16H,1,6-9,14H2/t12-/m0/s1
InChIKeyYOZHZLVQNKJBEI-LBPRGKRZSA-N
XLogP1.60
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-amino-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride
CID 45038987
2-[(1R)-2-amino-1-[1-(hydroxymethyl)cyclopentyl]ethyl]phenol
CID 125454175
[1-[(1R)-2-amino-1-(2-methylphenyl)ethyl]cyclopentyl]methanol
CID 125454181
4-[2-amino-1-(1-hydroxycyclohexyl)ethyl]benzaldehyde
CID 59903172
[1-[amino-(4-bromophenyl)methyl]cyclobutyl]methanol
CID 116944152
[1-[(1R)-2-amino-1-(4-methyl-1H-pyrazol-5-yl)ethyl]cyclobutyl]methanol
CID 125453016
4-[(1-aminocyclobutyl)-hydroxymethyl]phenol
CID 105447122
4-[1-(1-hydroxycyclohexyl)-4-methylpentyl]phenol
CID 143726784
[1-[amino-(4-methylsulfanylphenyl)methyl]cyclobutyl]methanol
CID 116944221
1-[(1S)-2-amino-1-(3-hydroxyphenyl)ethyl]cyclobutane-1-carboxylic acid
CID 125453575
[(2R)-2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)ethyl]-dimethylazanium chloride
CID 159281287
1-[2-amino-1-(4-ethenylphenyl)ethyl]cyclohexan-1-ol
CID 89064934

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-2-amino-1-[1-(hydroxymethyl)cyclobutyl]ethyl]phenol?
The IUPAC name of 4-[(1S)-2-amino-1-[1-(hydroxymethyl)cyclobutyl]ethyl]phenol (CID 125454143) is 4-[(1S)-2-amino-1-[1-(hydroxymethyl)cyclobutyl]ethyl]phenol.
What is the SMILES notation for 4-[(1S)-2-amino-1-[1-(hydroxymethyl)cyclobutyl]ethyl]phenol?
The canonical SMILES for 4-[(1S)-2-amino-1-[1-(hydroxymethyl)cyclobutyl]ethyl]phenol is NC[C@@H](c1ccc(O)cc1)C1(CO)CCC1.
What is the InChIKey of 4-[(1S)-2-amino-1-[1-(hydroxymethyl)cyclobutyl]ethyl]phenol?
The InChIKey is YOZHZLVQNKJBEI-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19NO2/c14-8-12(13(9-15)6-1-7-13)10-2-4-11(16)5-3-10/h2-5,12,15-16H,1,6-9,14H2/t12-/m0/s1.
What are the key properties of 4-[(1S)-2-amino-1-[1-(hydroxymethyl)cyclobutyl]ethyl]phenol?
4-[(1S)-2-amino-1-[1-(hydroxymethyl)cyclobutyl]ethyl]phenol has a molecular weight of 221.30 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-2-amino-1-[1-(hydroxymethyl)cyclobutyl]ethyl]phenol is sourced from PubChem (CID 125454143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).