1-[3-[(1R)-1-aminoethyl]phenyl]azetidin-3-ol

C11H16N2O — CID 155687266

IUPAC1-[3-[(1R)-1-aminoethyl]phenyl]azetidin-3-ol
SMILESC[C@@H](N)c1cccc(N2CC(O)C2)c1
InChIInChI=1S/C11H16N2O/c1-8(12)9-3-2-4-10(5-9)13-6-11(14)7-13/h2-5,8,11,14H,6-7,12H2,1H3/t8-/m1/s1
InChIKeyUUKAPAYASUDDEI-MRVPVSSYSA-N
MW192.26 g/mol
LogP0.89
Rot. Bonds2

About 1-[3-[(1R)-1-aminoethyl]phenyl]azetidin-3-ol

1-[3-[(1R)-1-aminoethyl]phenyl]azetidin-3-ol (PubChem CID 155687266) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[3-[(1R)-1-aminoethyl]phenyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[3-[(1R)-1-aminoethyl]phenyl]azetidin-3-ol
PubChem CID155687266
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-[3-[(1R)-1-aminoethyl]phenyl]azetidin-3-ol
SMILESC[C@@H](N)c1cccc(N2CC(O)C2)c1
InChIInChI=1S/C11H16N2O/c1-8(12)9-3-2-4-10(5-9)13-6-11(14)7-13/h2-5,8,11,14H,6-7,12H2,1H3/t8-/m1/s1
InChIKeyUUKAPAYASUDDEI-MRVPVSSYSA-N
XLogP0.89
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-ethylazetidin-1-yl)phenyl]ethanamine
CID 79677718
1-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine
CID 79579769
8-methyl-3-(3-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane
CID 169288841
1-[4-(1-aminoethyl)phenyl]piperidin-3-ol
CID 61434763
1-[3-(1-aminoethyl)phenyl]-3-propan-2-ylimidazolidin-2-one
CID 117371582
1-(3-propan-2-ylphenyl)ethanamine
CID 63886929
1-[4-(4-phenylpiperazin-1-yl)phenyl]ethanamine
CID 43188772
1-[4-[(1R)-1-aminoethyl]-2-fluorophenyl]piperidin-3-ol
CID 78934869
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidin-3-ol
CID 78934473
1-[4-(1-aminoethyl)-2-fluorophenyl]piperidin-3-ol
CID 61434717
(1S)-1-(3-bromophenyl)ethanamine;1-bromo-3-propan-2-ylbenzene;dichloromethane;(1S)-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanamine;1-methyl-4-(3-propan-2-ylphenyl)piperazine
CID 160866373
N-ethyl-1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanamine
CID 79678083

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1R)-1-aminoethyl]phenyl]azetidin-3-ol?
The IUPAC name of 1-[3-[(1R)-1-aminoethyl]phenyl]azetidin-3-ol (CID 155687266) is 1-[3-[(1R)-1-aminoethyl]phenyl]azetidin-3-ol.
What is the SMILES notation for 1-[3-[(1R)-1-aminoethyl]phenyl]azetidin-3-ol?
The canonical SMILES for 1-[3-[(1R)-1-aminoethyl]phenyl]azetidin-3-ol is C[C@@H](N)c1cccc(N2CC(O)C2)c1.
What is the InChIKey of 1-[3-[(1R)-1-aminoethyl]phenyl]azetidin-3-ol?
The InChIKey is UUKAPAYASUDDEI-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8(12)9-3-2-4-10(5-9)13-6-11(14)7-13/h2-5,8,11,14H,6-7,12H2,1H3/t8-/m1/s1.
What are the key properties of 1-[3-[(1R)-1-aminoethyl]phenyl]azetidin-3-ol?
1-[3-[(1R)-1-aminoethyl]phenyl]azetidin-3-ol has a molecular weight of 192.26 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1R)-1-aminoethyl]phenyl]azetidin-3-ol is sourced from PubChem (CID 155687266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).