[2-(azetidin-1-yl)-5-methylphenyl]methanamine

C11H16N2 — CID 126980462

IUPAC[2-(azetidin-1-yl)-5-methylphenyl]methanamine
SMILESCc1ccc(N2CCC2)c(CN)c1
InChIInChI=1S/C11H16N2/c1-9-3-4-11(10(7-9)8-12)13-5-2-6-13/h3-4,7H,2,5-6,8,12H2,1H3
InChIKeyVQRQOYJZOQXXRA-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.66
Rot. Bonds2

About [2-(azetidin-1-yl)-5-methylphenyl]methanamine

[2-(azetidin-1-yl)-5-methylphenyl]methanamine (PubChem CID 126980462) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is [2-(azetidin-1-yl)-5-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-(azetidin-1-yl)-5-methylphenyl]methanamine
PubChem CID126980462
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name[2-(azetidin-1-yl)-5-methylphenyl]methanamine
SMILESCc1ccc(N2CCC2)c(CN)c1
InChIInChI=1S/C11H16N2/c1-9-3-4-11(10(7-9)8-12)13-5-2-6-13/h3-4,7H,2,5-6,8,12H2,1H3
InChIKeyVQRQOYJZOQXXRA-UHFFFAOYSA-N
XLogP1.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(azetidin-1-yl)-5-methylphenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-tert-butylpiperidin-1-yl)-5-methylphenyl]methanamine
CID 107926168
1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-3,4-diol
CID 107926386
[5-methyl-2-(4-propylpiperidin-1-yl)phenyl]methanamine
CID 107926173
1-(2-ethyl-4-methylphenyl)piperidine
CID 90278771
[2-(3,4-dimethoxypyrrolidin-1-yl)-5-methylphenyl]methanamine
CID 114016674
1-[(5-methyl-2-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine
CID 117363499
1-(5-methyl-2-pyrrolidin-1-ylphenyl)propan-2-one
CID 117309875
2-(5-methyl-2-piperidin-1-ylphenyl)ethanol
CID 117313218
[2-(azepan-1-yl)-5-chlorophenyl]methanamine
CID 62493124
[4-methyl-2-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 62308620
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylphenyl]methanamine
CID 114016660
3-(5-methyl-2-piperidin-1-ylphenyl)propanal
CID 117335122

Frequently Asked Questions

What is the IUPAC name of [2-(azetidin-1-yl)-5-methylphenyl]methanamine?
The IUPAC name of [2-(azetidin-1-yl)-5-methylphenyl]methanamine (CID 126980462) is [2-(azetidin-1-yl)-5-methylphenyl]methanamine.
What is the SMILES notation for [2-(azetidin-1-yl)-5-methylphenyl]methanamine?
The canonical SMILES for [2-(azetidin-1-yl)-5-methylphenyl]methanamine is Cc1ccc(N2CCC2)c(CN)c1.
What is the InChIKey of [2-(azetidin-1-yl)-5-methylphenyl]methanamine?
The InChIKey is VQRQOYJZOQXXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-9-3-4-11(10(7-9)8-12)13-5-2-6-13/h3-4,7H,2,5-6,8,12H2,1H3.
What are the key properties of [2-(azetidin-1-yl)-5-methylphenyl]methanamine?
[2-(azetidin-1-yl)-5-methylphenyl]methanamine has a molecular weight of 176.26 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azetidin-1-yl)-5-methylphenyl]methanamine is sourced from PubChem (CID 126980462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).