[4-(1-methylazetidin-3-yl)phenyl]methanamine

C11H16N2 — CID 83827683

IUPAC[4-(1-methylazetidin-3-yl)phenyl]methanamine
SMILESCN1CC(c2ccc(CN)cc2)C1
InChIInChI=1S/C11H16N2/c1-13-7-11(8-13)10-4-2-9(6-12)3-5-10/h2-5,11H,6-8,12H2,1H3
InChIKeyUUFOYIFAXRJFAW-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.17
Rot. Bonds2

About [4-(1-methylazetidin-3-yl)phenyl]methanamine

[4-(1-methylazetidin-3-yl)phenyl]methanamine (PubChem CID 83827683) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is [4-(1-methylazetidin-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(1-methylazetidin-3-yl)phenyl]methanamine
PubChem CID83827683
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name[4-(1-methylazetidin-3-yl)phenyl]methanamine
SMILESCN1CC(c2ccc(CN)cc2)C1
InChIInChI=1S/C11H16N2/c1-13-7-11(8-13)10-4-2-9(6-12)3-5-10/h2-5,11H,6-8,12H2,1H3
InChIKeyUUFOYIFAXRJFAW-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1-methylazepan-4-yl)phenyl]methanamine
CID 83836852
1-[4-(1-methylazetidin-3-yl)phenyl]propan-2-ol
CID 117294180
4-(1-methylazetidin-3-yl)phenol
CID 84651703
(4-cyclohexylphenyl)methanamine
CID 22246867
3-[4-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine
CID 84786356
3-(4-methoxyphenyl)-1-methylazetidine
CID 134399978
[4-[(1-methylazetidin-3-yl)methoxy]phenyl]methanamine
CID 84674541
[4-[3-(1-methylpyrrolidin-3-yl)phenyl]phenyl]methanamine
CID 116988532
1-[3-(1-methylazetidin-3-yl)phenyl]propan-2-amine
CID 117292971
N-[[4-(aminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 115213157
[4-(oxolan-3-yl)phenyl]methanamine
CID 83827764
4-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-2-amine
CID 116988351

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylazetidin-3-yl)phenyl]methanamine?
The IUPAC name of [4-(1-methylazetidin-3-yl)phenyl]methanamine (CID 83827683) is [4-(1-methylazetidin-3-yl)phenyl]methanamine.
What is the SMILES notation for [4-(1-methylazetidin-3-yl)phenyl]methanamine?
The canonical SMILES for [4-(1-methylazetidin-3-yl)phenyl]methanamine is CN1CC(c2ccc(CN)cc2)C1.
What is the InChIKey of [4-(1-methylazetidin-3-yl)phenyl]methanamine?
The InChIKey is UUFOYIFAXRJFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-13-7-11(8-13)10-4-2-9(6-12)3-5-10/h2-5,11H,6-8,12H2,1H3.
What are the key properties of [4-(1-methylazetidin-3-yl)phenyl]methanamine?
[4-(1-methylazetidin-3-yl)phenyl]methanamine has a molecular weight of 176.26 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylazetidin-3-yl)phenyl]methanamine is sourced from PubChem (CID 83827683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).