1-[(2,4-dichlorophenyl)methyl]azetidine

C10H11Cl2N — CID 127007358

IUPAC1-[(2,4-dichlorophenyl)methyl]azetidine
SMILESClc1ccc(CN2CCC2)c(Cl)c1
InChIInChI=1S/C10H11Cl2N/c11-9-3-2-8(10(12)6-9)7-13-4-1-5-13/h2-3,6H,1,4-5,7H2
InChIKeyRSRDMGNWXQXKDW-UHFFFAOYSA-N
MW216.11 g/mol
LogP3.20
Rot. Bonds2

About 1-[(2,4-dichlorophenyl)methyl]azetidine

1-[(2,4-dichlorophenyl)methyl]azetidine (PubChem CID 127007358) has the molecular formula C10H11Cl2N and a molecular weight of 216.11 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]azetidine.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]azetidine
PubChem CID127007358
Molecular FormulaC10H11Cl2N
Molecular Weight216.11 g/mol
Exact Mass215.03
IUPAC Name1-[(2,4-dichlorophenyl)methyl]azetidine
SMILESClc1ccc(CN2CCC2)c(Cl)c1
InChIInChI=1S/C10H11Cl2N/c11-9-3-2-8(10(12)6-9)7-13-4-1-5-13/h2-3,6H,1,4-5,7H2
InChIKeyRSRDMGNWXQXKDW-UHFFFAOYSA-N
XLogP3.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2,4-dichlorophenyl)methyl]thiomorpholine
CID 1377068
4-[(2,4-dichlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 51108757
(9aS)-2-[(2,4-dichlorophenyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 124738071
4-(chloromethyl)-1-[(2,4-dichlorophenyl)methyl]piperidine
CID 63387554
(3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpiperidine
CID 144850667
N-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]hydroxylamine
CID 143565225
4-(azepan-1-ylmethyl)-3-chloroaniline
CID 28721850
1-[(2,4-dichlorophenyl)methyl]azetidin-3-amine
CID 65245032
1-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 750916
1-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922302
4-[(2,4-dichlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 34781962
5-chloro-2-(pyrrolidin-1-ylmethyl)benzoic acid
CID 117220861

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]azetidine?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]azetidine (CID 127007358) is 1-[(2,4-dichlorophenyl)methyl]azetidine.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]azetidine?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]azetidine is Clc1ccc(CN2CCC2)c(Cl)c1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]azetidine?
The InChIKey is RSRDMGNWXQXKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N/c11-9-3-2-8(10(12)6-9)7-13-4-1-5-13/h2-3,6H,1,4-5,7H2.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]azetidine?
1-[(2,4-dichlorophenyl)methyl]azetidine has a molecular weight of 216.11 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]azetidine is sourced from PubChem (CID 127007358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).