1-[[2-(aminomethyl)phenyl]methyl]azetidin-3-ol

C11H16N2O — CID 131137641

IUPAC1-[[2-(aminomethyl)phenyl]methyl]azetidin-3-ol
SMILESNCc1ccccc1CN1CC(O)C1
InChIInChI=1S/C11H16N2O/c12-5-9-3-1-2-4-10(9)6-13-7-11(14)8-13/h1-4,11,14H,5-8,12H2
InChIKeyIKTCIIWVVULMLV-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.32
Rot. Bonds3

About 1-[[2-(aminomethyl)phenyl]methyl]azetidin-3-ol

1-[[2-(aminomethyl)phenyl]methyl]azetidin-3-ol (PubChem CID 131137641) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)phenyl]methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[[2-(aminomethyl)phenyl]methyl]azetidin-3-ol
PubChem CID131137641
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-[[2-(aminomethyl)phenyl]methyl]azetidin-3-ol
SMILESNCc1ccccc1CN1CC(O)C1
InChIInChI=1S/C11H16N2O/c12-5-9-3-1-2-4-10(9)6-13-7-11(14)8-13/h1-4,11,14H,5-8,12H2
InChIKeyIKTCIIWVVULMLV-UHFFFAOYSA-N
XLogP0.32
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(aminomethyl)-4-chlorophenyl]methyl]azetidin-3-ol
CID 18672299
[2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)phenyl]methanamine
CID 114196298
1-[(2-phenylphenyl)methyl]azetidin-3-ol
CID 141021378
1-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-ol
CID 63091103
1-[[2-(aminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 114081799
2-[2-[[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 113314722
[2-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]methanamine
CID 62091604
1-[(2-bromophenyl)methyl]pyrrolidine-3,4-diol
CID 106672210
2-[2-(3-azabicyclo[3.1.1]heptan-3-ylmethyl)phenyl]ethanamine
CID 84793982
[2-(2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]methanamine
CID 79677418
2-[2-[(3-hydroxypiperidin-1-yl)methyl]phenyl]acetic acid
CID 115462681
1-[(5-amino-2-chlorophenyl)methyl]azetidin-3-ol
CID 68627657

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)phenyl]methyl]azetidin-3-ol?
The IUPAC name of 1-[[2-(aminomethyl)phenyl]methyl]azetidin-3-ol (CID 131137641) is 1-[[2-(aminomethyl)phenyl]methyl]azetidin-3-ol.
What is the SMILES notation for 1-[[2-(aminomethyl)phenyl]methyl]azetidin-3-ol?
The canonical SMILES for 1-[[2-(aminomethyl)phenyl]methyl]azetidin-3-ol is NCc1ccccc1CN1CC(O)C1.
What is the InChIKey of 1-[[2-(aminomethyl)phenyl]methyl]azetidin-3-ol?
The InChIKey is IKTCIIWVVULMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-5-9-3-1-2-4-10(9)6-13-7-11(14)8-13/h1-4,11,14H,5-8,12H2.
What are the key properties of 1-[[2-(aminomethyl)phenyl]methyl]azetidin-3-ol?
1-[[2-(aminomethyl)phenyl]methyl]azetidin-3-ol has a molecular weight of 192.26 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)phenyl]methyl]azetidin-3-ol is sourced from PubChem (CID 131137641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).