1-(4-bromo-3,5-dimethylphenyl)-3-propylazetidine

C14H20BrN — CID 107575237

IUPAC1-(4-bromo-3,5-dimethylphenyl)-3-propylazetidine
SMILESCCCC1CN(c2cc(C)c(Br)c(C)c2)C1
InChIInChI=1S/C14H20BrN/c1-4-5-12-8-16(9-12)13-6-10(2)14(15)11(3)7-13/h6-7,12H,4-5,8-9H2,1-3H3
InChIKeyGPNVYNDZVKEEML-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.30
Rot. Bonds3

About 1-(4-bromo-3,5-dimethylphenyl)-3-propylazetidine

1-(4-bromo-3,5-dimethylphenyl)-3-propylazetidine (PubChem CID 107575237) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenyl)-3-propylazetidine.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenyl)-3-propylazetidine
PubChem CID107575237
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name1-(4-bromo-3,5-dimethylphenyl)-3-propylazetidine
SMILESCCCC1CN(c2cc(C)c(Br)c(C)c2)C1
InChIInChI=1S/C14H20BrN/c1-4-5-12-8-16(9-12)13-6-10(2)14(15)11(3)7-13/h6-7,12H,4-5,8-9H2,1-3H3
InChIKeyGPNVYNDZVKEEML-UHFFFAOYSA-N
XLogP4.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromo-3,5-dimethylphenyl)-3-propylazetidine 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

4-Bromo-N,N,3-trimethylaniline
CID 12385715
4-Bromo-N,N-dimethyl-3-(trifluoromethyl)aniline
CID 688191
4-Bromo-N,N,3,5-tetramethylaniline
CID 44629944
5-(2-Bromo-3-methylphenyl)-5-azaspiro[2.3]hexane
CID 81706088
N-benzyl-N-(4-bromophenyl)-N-methylamine
CID 22347392
N-[(2-bromophenyl)methyl]-N-methylaniline
CID 60644678
4-Bromo-N,N-diethyl-2-methylbenzenamine
CID 66672065
(4-Bromo-2-isopropylphenyl)diethylamine
CID 67276655
4-bromo-N,N-bis(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline
CID 11327142
N,N-Dipentyl-4-bromo-3-trifluoromethylaniline
CID 18329309
4-bromo-N-(2,2-difluoroethyl)-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline
CID 58668738
4-bromo-N-ethyl-N-methyl-3-(trifluoromethyl)aniline
CID 58704541

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-3-propylazetidine?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-3-propylazetidine (CID 107575237) is 1-(4-bromo-3,5-dimethylphenyl)-3-propylazetidine.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenyl)-3-propylazetidine?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenyl)-3-propylazetidine is CCCC1CN(c2cc(C)c(Br)c(C)c2)C1.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenyl)-3-propylazetidine?
The InChIKey is GPNVYNDZVKEEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-4-5-12-8-16(9-12)13-6-10(2)14(15)11(3)7-13/h6-7,12H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(4-bromo-3,5-dimethylphenyl)-3-propylazetidine?
1-(4-bromo-3,5-dimethylphenyl)-3-propylazetidine has a molecular weight of 282.22 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenyl)-3-propylazetidine is sourced from PubChem (CID 107575237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).