3-[(4-methylphenyl)methyl]-3-propylazetidine

C14H21N — CID 79451840

IUPAC3-[(4-methylphenyl)methyl]-3-propylazetidine
SMILESCCCC1(Cc2ccc(C)cc2)CNC1
InChIInChI=1S/C14H21N/c1-3-8-14(10-15-11-14)9-13-6-4-12(2)5-7-13/h4-7,15H,3,8-11H2,1-2H3
InChIKeyIQONUKAPMGZVIX-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.93
Rot. Bonds4

About 3-[(4-methylphenyl)methyl]-3-propylazetidine

3-[(4-methylphenyl)methyl]-3-propylazetidine (PubChem CID 79451840) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]-3-propylazetidine.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]-3-propylazetidine
PubChem CID79451840
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3-[(4-methylphenyl)methyl]-3-propylazetidine
SMILESCCCC1(Cc2ccc(C)cc2)CNC1
InChIInChI=1S/C14H21N/c1-3-8-14(10-15-11-14)9-13-6-4-12(2)5-7-13/h4-7,15H,3,8-11H2,1-2H3
InChIKeyIQONUKAPMGZVIX-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3,4-dichlorophenyl)methyl]-3-propylazetidine
CID 79451841
3-benzyl-3-butylazetidine
CID 79451820
3-benzyl-3-nonylazetidine
CID 79451822
1-ethyl-4-[(3-propylazetidin-3-yl)methyl]pyrazole
CID 79452458
1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylbenzene
CID 66048468
3-[(2,5-difluorophenyl)methyl]-3-propylazetidine
CID 79451845
2-[(4-methylphenyl)methyl]-2-propylpiperidine
CID 115058989
3-[(2,4-difluorophenyl)methyl]-3-propylazetidine
CID 79451436
1-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.1]heptane
CID 84776450
3-[(2-chloro-5-fluorophenyl)methyl]-3-propylazetidine
CID 102621652
N-[[1-[(4-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 62724999
2-methyl-N-[[1-[(4-methylphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66026023

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methyl]-3-propylazetidine?
The IUPAC name of 3-[(4-methylphenyl)methyl]-3-propylazetidine (CID 79451840) is 3-[(4-methylphenyl)methyl]-3-propylazetidine.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]-3-propylazetidine?
The canonical SMILES for 3-[(4-methylphenyl)methyl]-3-propylazetidine is CCCC1(Cc2ccc(C)cc2)CNC1.
What is the InChIKey of 3-[(4-methylphenyl)methyl]-3-propylazetidine?
The InChIKey is IQONUKAPMGZVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-3-8-14(10-15-11-14)9-13-6-4-12(2)5-7-13/h4-7,15H,3,8-11H2,1-2H3.
What are the key properties of 3-[(4-methylphenyl)methyl]-3-propylazetidine?
3-[(4-methylphenyl)methyl]-3-propylazetidine has a molecular weight of 203.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]-3-propylazetidine is sourced from PubChem (CID 79451840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).