3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine

C15H22FN — CID 163262685

IUPAC3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine
SMILESCc1ccc(CC2CN(CCCF)C2)c(C)c1
InChIInChI=1S/C15H22FN/c1-12-4-5-15(13(2)8-12)9-14-10-17(11-14)7-3-6-16/h4-5,8,14H,3,6-7,9-11H2,1-2H3
InChIKeyIDCYISWMNAIYQB-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.14
Rot. Bonds5

About 3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine

3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine (PubChem CID 163262685) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine
PubChem CID163262685
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine
SMILESCc1ccc(CC2CN(CCCF)C2)c(C)c1
InChIInChI=1S/C15H22FN/c1-12-4-5-15(13(2)8-12)9-14-10-17(11-14)7-3-6-16/h4-5,8,14H,3,6-7,9-11H2,1-2H3
InChIKeyIDCYISWMNAIYQB-UHFFFAOYSA-N
XLogP3.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclopropylmethyl)-2,4-dimethylbenzene
CID 156717993
3-[(2,4-dimethylphenyl)methyl]azetidine
CID 16780033
3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 82285679
1-[2-[(2,4-dimethylphenyl)methoxy]ethyl]piperazine
CID 96663407
(3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-amine
CID 24904821
1-[3-(2,5-dimethylphenoxy)propyl]azetidin-3-amine
CID 65250062
N-[(2,4-dimethylphenyl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 60855303
2-[(2,4-dimethylphenyl)methyl]-5-methylpiperidine
CID 81318671
3-[[4-(6-bromo-3-isocyano-2-methyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]methyl]-1-(3-fluoropropyl)azetidine
CID 170526521
N-[[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63241176
6-[2-(difluoromethyl)-4-methylphenyl]-5-[4-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]phenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid
CID 163262503
(2,4-dimethylphenyl)methanamine;propane
CID 143780972

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine?
The IUPAC name of 3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine (CID 163262685) is 3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine?
The canonical SMILES for 3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine is Cc1ccc(CC2CN(CCCF)C2)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine?
The InChIKey is IDCYISWMNAIYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-12-4-5-15(13(2)8-12)9-14-10-17(11-14)7-3-6-16/h4-5,8,14H,3,6-7,9-11H2,1-2H3.
What are the key properties of 3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine?
3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine has a molecular weight of 235.35 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine is sourced from PubChem (CID 163262685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).