1-[4-(aminomethyl)-2-methylphenyl]azetidin-3-ol

C11H16N2O — CID 130921105

IUPAC1-[4-(aminomethyl)-2-methylphenyl]azetidin-3-ol
SMILESCc1cc(CN)ccc1N1CC(O)C1
InChIInChI=1S/C11H16N2O/c1-8-4-9(5-12)2-3-11(8)13-6-10(14)7-13/h2-4,10,14H,5-7,12H2,1H3
InChIKeySWMSHDNRCOIEKP-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.63
Rot. Bonds2

About 1-[4-(aminomethyl)-2-methylphenyl]azetidin-3-ol

1-[4-(aminomethyl)-2-methylphenyl]azetidin-3-ol (PubChem CID 130921105) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-2-methylphenyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)-2-methylphenyl]azetidin-3-ol
PubChem CID130921105
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-[4-(aminomethyl)-2-methylphenyl]azetidin-3-ol
SMILESCc1cc(CN)ccc1N1CC(O)C1
InChIInChI=1S/C11H16N2O/c1-8-4-9(5-12)2-3-11(8)13-6-10(14)7-13/h2-4,10,14H,5-7,12H2,1H3
InChIKeySWMSHDNRCOIEKP-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(hydroxymethyl)-2-methylphenyl]pyrrolidin-3-ol
CID 62941166
[3-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine
CID 113418166
1-[4-(aminomethyl)-2-methylphenyl]-N,N-diethylpyrrolidin-3-amine
CID 55219788
[4-[3-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]methanamine
CID 106587897
[4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methanamine
CID 55135292
[3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanamine
CID 114594256
1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-3,4-diol
CID 107926386
1-[4-(aminomethyl)-2-methylphenyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106319231
4-methyl-1-[2-methyl-4-(methylaminomethyl)phenyl]piperidin-3-ol
CID 102960910
[4-(3-azabicyclo[3.3.1]nonan-3-yl)-3-methylphenyl]methanol
CID 114196611
S-[1-[4-(aminomethyl)-2-methylphenyl]-5-oxopyrrolidin-3-yl] ethanethioate
CID 168705451
[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methylphenyl]methanamine
CID 55025133

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-2-methylphenyl]azetidin-3-ol?
The IUPAC name of 1-[4-(aminomethyl)-2-methylphenyl]azetidin-3-ol (CID 130921105) is 1-[4-(aminomethyl)-2-methylphenyl]azetidin-3-ol.
What is the SMILES notation for 1-[4-(aminomethyl)-2-methylphenyl]azetidin-3-ol?
The canonical SMILES for 1-[4-(aminomethyl)-2-methylphenyl]azetidin-3-ol is Cc1cc(CN)ccc1N1CC(O)C1.
What is the InChIKey of 1-[4-(aminomethyl)-2-methylphenyl]azetidin-3-ol?
The InChIKey is SWMSHDNRCOIEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-4-9(5-12)2-3-11(8)13-6-10(14)7-13/h2-4,10,14H,5-7,12H2,1H3.
What are the key properties of 1-[4-(aminomethyl)-2-methylphenyl]azetidin-3-ol?
1-[4-(aminomethyl)-2-methylphenyl]azetidin-3-ol has a molecular weight of 192.26 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-2-methylphenyl]azetidin-3-ol is sourced from PubChem (CID 130921105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).