1-[(2,4-dichlorophenyl)methyl]azetidin-3-amine

C10H12Cl2N2 — CID 65245032

IUPAC1-[(2,4-dichlorophenyl)methyl]azetidin-3-amine
SMILESNC1CN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C10H12Cl2N2/c11-8-2-1-7(10(12)3-8)4-14-5-9(13)6-14/h1-3,9H,4-6,13H2
InChIKeyJEMWSYHSVUWWJI-UHFFFAOYSA-N
MW231.13 g/mol
LogP2.14
Rot. Bonds2

About 1-[(2,4-dichlorophenyl)methyl]azetidin-3-amine

1-[(2,4-dichlorophenyl)methyl]azetidin-3-amine (PubChem CID 65245032) has the molecular formula C10H12Cl2N2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]azetidin-3-amine
PubChem CID65245032
Molecular FormulaC10H12Cl2N2
Molecular Weight231.13 g/mol
Exact Mass230.04
IUPAC Name1-[(2,4-dichlorophenyl)methyl]azetidin-3-amine
SMILESNC1CN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C10H12Cl2N2/c11-8-2-1-7(10(12)3-8)4-14-5-9(13)6-14/h1-3,9H,4-6,13H2
InChIKeyJEMWSYHSVUWWJI-UHFFFAOYSA-N
XLogP2.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(bromomethyl)-1-[(2,4-dichlorophenyl)methyl]azetidine
CID 130531229
1-[(5-chloro-2-fluorophenyl)methyl]azetidin-3-amine
CID 114857925
5-[(2,4-dichlorophenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60917507
1-[(2,4-dichlorophenyl)methyl]azetidine
CID 127007358
1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine
CID 63761103
4-(chloromethyl)-1-[(2,4-dichlorophenyl)methyl]piperidine
CID 63387554
4-[(2,4-dichlorophenyl)methyl]thiomorpholine
CID 1377068
1-[(2,4-dichlorophenyl)methyl]-N-methylazetidine-3-carboxamide
CID 100611651
[4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 114393379
2-(chloromethyl)-4-[(2,4-dichlorophenyl)methyl]-6-methylmorpholine
CID 102936602
(3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpiperidine
CID 144850667
(3R)-1-[(2-bromo-4-chlorophenyl)methyl]pyrrolidin-3-amine
CID 119905432

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]azetidin-3-amine?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]azetidin-3-amine (CID 65245032) is 1-[(2,4-dichlorophenyl)methyl]azetidin-3-amine.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]azetidin-3-amine?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]azetidin-3-amine is NC1CN(Cc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]azetidin-3-amine?
The InChIKey is JEMWSYHSVUWWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2/c11-8-2-1-7(10(12)3-8)4-14-5-9(13)6-14/h1-3,9H,4-6,13H2.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]azetidin-3-amine?
1-[(2,4-dichlorophenyl)methyl]azetidin-3-amine has a molecular weight of 231.13 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]azetidin-3-amine is sourced from PubChem (CID 65245032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).