N-[(4-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)azetidin-3-amine

C16H15Cl3N2 — CID 118713767

IUPACN-[(4-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)azetidin-3-amine
SMILESClc1ccc(CN(c2ccc(Cl)c(Cl)c2)C2CNC2)cc1
InChIInChI=1S/C16H15Cl3N2/c17-12-3-1-11(2-4-12)10-21(14-8-20-9-14)13-5-6-15(18)16(19)7-13/h1-7,14,20H,8-10H2
InChIKeyZFASHAXWGYISLR-UHFFFAOYSA-N
MW341.67 g/mol
LogP4.63
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)azetidin-3-amine

N-[(4-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)azetidin-3-amine (PubChem CID 118713767) has the molecular formula C16H15Cl3N2 and a molecular weight of 341.67 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)azetidin-3-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)azetidin-3-amine
PubChem CID118713767
Molecular FormulaC16H15Cl3N2
Molecular Weight341.67 g/mol
Exact Mass340.03
IUPAC NameN-[(4-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)azetidin-3-amine
SMILESClc1ccc(CN(c2ccc(Cl)c(Cl)c2)C2CNC2)cc1
InChIInChI=1S/C16H15Cl3N2/c17-12-3-1-11(2-4-12)10-21(14-8-20-9-14)13-5-6-15(18)16(19)7-13/h1-7,14,20H,8-10H2
InChIKeyZFASHAXWGYISLR-UHFFFAOYSA-N
XLogP4.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.67
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)azetidin-3-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)azetidin-3-amine (CID 118713767) is N-[(4-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)azetidin-3-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)azetidin-3-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)azetidin-3-amine is Clc1ccc(CN(c2ccc(Cl)c(Cl)c2)C2CNC2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)azetidin-3-amine?
The InChIKey is ZFASHAXWGYISLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3N2/c17-12-3-1-11(2-4-12)10-21(14-8-20-9-14)13-5-6-15(18)16(19)7-13/h1-7,14,20H,8-10H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)azetidin-3-amine?
N-[(4-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)azetidin-3-amine has a molecular weight of 341.67 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)azetidin-3-amine is sourced from PubChem (CID 118713767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).