3-azido-1-[(3-methylphenyl)methyl]azetidine

C11H14N4 — CID 121200162

IUPAC3-azido-1-[(3-methylphenyl)methyl]azetidine
SMILESCc1cccc(CN2CC(N=[N+]=[N-])C2)c1
InChIInChI=1S/C11H14N4/c1-9-3-2-4-10(5-9)6-15-7-11(8-15)13-14-12/h2-5,11H,6-8H2,1H3
InChIKeyGBERNKXRKPQBBD-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.49
Rot. Bonds3

About 3-azido-1-[(3-methylphenyl)methyl]azetidine

3-azido-1-[(3-methylphenyl)methyl]azetidine (PubChem CID 121200162) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-azido-1-[(3-methylphenyl)methyl]azetidine.

Molecular Properties

Compound Name3-azido-1-[(3-methylphenyl)methyl]azetidine
PubChem CID121200162
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name3-azido-1-[(3-methylphenyl)methyl]azetidine
SMILESCc1cccc(CN2CC(N=[N+]=[N-])C2)c1
InChIInChI=1S/C11H14N4/c1-9-3-2-4-10(5-9)6-15-7-11(8-15)13-14-12/h2-5,11H,6-8H2,1H3
InChIKeyGBERNKXRKPQBBD-UHFFFAOYSA-N
XLogP2.49
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-azido-1-[(3,4-difluorophenyl)methyl]azetidine
CID 121200093
3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 171523193
3-azido-1-[(3,5-dichlorophenyl)methyl]azetidine
CID 121200278
(3R)-3-azido-1-benzylpiperidine
CID 130647613
(3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 24904607
3-methyl-1-[(3-methylphenyl)methyl]piperazine
CID 64834386
1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038
1-(azidomethyl)-3-methylbenzene
CID 2736816
[(3R,4R)-4-[(dimethylamino)methyl]-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methanol
CID 70785359
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
4-bromo-3-methyl-1-[(3-methylphenyl)methyl]piperidine
CID 114682467
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358

Frequently Asked Questions

What is the IUPAC name of 3-azido-1-[(3-methylphenyl)methyl]azetidine?
The IUPAC name of 3-azido-1-[(3-methylphenyl)methyl]azetidine (CID 121200162) is 3-azido-1-[(3-methylphenyl)methyl]azetidine.
What is the SMILES notation for 3-azido-1-[(3-methylphenyl)methyl]azetidine?
The canonical SMILES for 3-azido-1-[(3-methylphenyl)methyl]azetidine is Cc1cccc(CN2CC(N=[N+]=[N-])C2)c1.
What is the InChIKey of 3-azido-1-[(3-methylphenyl)methyl]azetidine?
The InChIKey is GBERNKXRKPQBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-9-3-2-4-10(5-9)6-15-7-11(8-15)13-14-12/h2-5,11H,6-8H2,1H3.
What are the key properties of 3-azido-1-[(3-methylphenyl)methyl]azetidine?
3-azido-1-[(3-methylphenyl)methyl]azetidine has a molecular weight of 202.26 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-[(3-methylphenyl)methyl]azetidine is sourced from PubChem (CID 121200162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).