1-[1-(2,5-dichlorophenyl)ethyl]azetidin-3-amine

C11H14Cl2N2 — CID 65244974

IUPAC1-[1-(2,5-dichlorophenyl)ethyl]azetidin-3-amine
SMILESCC(c1cc(Cl)ccc1Cl)N1CC(N)C1
InChIInChI=1S/C11H14Cl2N2/c1-7(15-5-9(14)6-15)10-4-8(12)2-3-11(10)13/h2-4,7,9H,5-6,14H2,1H3
InChIKeyJNZOGZGDMKYJQO-UHFFFAOYSA-N
MW245.15 g/mol
LogP2.70
Rot. Bonds2

About 1-[1-(2,5-dichlorophenyl)ethyl]azetidin-3-amine

1-[1-(2,5-dichlorophenyl)ethyl]azetidin-3-amine (PubChem CID 65244974) has the molecular formula C11H14Cl2N2 and a molecular weight of 245.15 g/mol. Its IUPAC name is 1-[1-(2,5-dichlorophenyl)ethyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[1-(2,5-dichlorophenyl)ethyl]azetidin-3-amine
PubChem CID65244974
Molecular FormulaC11H14Cl2N2
Molecular Weight245.15 g/mol
Exact Mass244.05
IUPAC Name1-[1-(2,5-dichlorophenyl)ethyl]azetidin-3-amine
SMILESCC(c1cc(Cl)ccc1Cl)N1CC(N)C1
InChIInChI=1S/C11H14Cl2N2/c1-7(15-5-9(14)6-15)10-4-8(12)2-3-11(10)13/h2-4,7,9H,5-6,14H2,1H3
InChIKeyJNZOGZGDMKYJQO-UHFFFAOYSA-N
XLogP2.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dichlorophenyl)ethyl]azetidin-3-amine?
The IUPAC name of 1-[1-(2,5-dichlorophenyl)ethyl]azetidin-3-amine (CID 65244974) is 1-[1-(2,5-dichlorophenyl)ethyl]azetidin-3-amine.
What is the SMILES notation for 1-[1-(2,5-dichlorophenyl)ethyl]azetidin-3-amine?
The canonical SMILES for 1-[1-(2,5-dichlorophenyl)ethyl]azetidin-3-amine is CC(c1cc(Cl)ccc1Cl)N1CC(N)C1.
What is the InChIKey of 1-[1-(2,5-dichlorophenyl)ethyl]azetidin-3-amine?
The InChIKey is JNZOGZGDMKYJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2/c1-7(15-5-9(14)6-15)10-4-8(12)2-3-11(10)13/h2-4,7,9H,5-6,14H2,1H3.
What are the key properties of 1-[1-(2,5-dichlorophenyl)ethyl]azetidin-3-amine?
1-[1-(2,5-dichlorophenyl)ethyl]azetidin-3-amine has a molecular weight of 245.15 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dichlorophenyl)ethyl]azetidin-3-amine is sourced from PubChem (CID 65244974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).