N-benzyl-N-(3,4-dichlorophenyl)azetidin-3-amine

C16H16Cl2N2 — CID 118713765

IUPACN-benzyl-N-(3,4-dichlorophenyl)azetidin-3-amine
SMILESClc1ccc(N(Cc2ccccc2)C2CNC2)cc1Cl
InChIInChI=1S/C16H16Cl2N2/c17-15-7-6-13(8-16(15)18)20(14-9-19-10-14)11-12-4-2-1-3-5-12/h1-8,14,19H,9-11H2
InChIKeyGEZVEYCSABQEAF-UHFFFAOYSA-N
MW307.22 g/mol
LogP3.97
Rot. Bonds4

About N-benzyl-N-(3,4-dichlorophenyl)azetidin-3-amine

N-benzyl-N-(3,4-dichlorophenyl)azetidin-3-amine (PubChem CID 118713765) has the molecular formula C16H16Cl2N2 and a molecular weight of 307.22 g/mol. Its IUPAC name is N-benzyl-N-(3,4-dichlorophenyl)azetidin-3-amine.

Molecular Properties

Compound NameN-benzyl-N-(3,4-dichlorophenyl)azetidin-3-amine
PubChem CID118713765
Molecular FormulaC16H16Cl2N2
Molecular Weight307.22 g/mol
Exact Mass306.07
IUPAC NameN-benzyl-N-(3,4-dichlorophenyl)azetidin-3-amine
SMILESClc1ccc(N(Cc2ccccc2)C2CNC2)cc1Cl
InChIInChI=1S/C16H16Cl2N2/c17-15-7-6-13(8-16(15)18)20(14-9-19-10-14)11-12-4-2-1-3-5-12/h1-8,14,19H,9-11H2
InChIKeyGEZVEYCSABQEAF-UHFFFAOYSA-N
XLogP3.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 93601
CID 93601
CID 76281
CID 76281
CID 44621617
CID 44621617
CID 52934004
CID 52934004
CID 3236712
CID 3236712
CID 24782489
CID 24782489
CID 44515310
CID 44515310
CID 118713775
CID 118713775
CID 118713805
CID 118713805
CID 292416
CID 292416
CID 1295053
CID 1295053
CID 1820371
CID 1820371

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(3,4-dichlorophenyl)azetidin-3-amine?
The IUPAC name of N-benzyl-N-(3,4-dichlorophenyl)azetidin-3-amine (CID 118713765) is N-benzyl-N-(3,4-dichlorophenyl)azetidin-3-amine.
What is the SMILES notation for N-benzyl-N-(3,4-dichlorophenyl)azetidin-3-amine?
The canonical SMILES for N-benzyl-N-(3,4-dichlorophenyl)azetidin-3-amine is Clc1ccc(N(Cc2ccccc2)C2CNC2)cc1Cl.
What is the InChIKey of N-benzyl-N-(3,4-dichlorophenyl)azetidin-3-amine?
The InChIKey is GEZVEYCSABQEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2/c17-15-7-6-13(8-16(15)18)20(14-9-19-10-14)11-12-4-2-1-3-5-12/h1-8,14,19H,9-11H2.
What are the key properties of N-benzyl-N-(3,4-dichlorophenyl)azetidin-3-amine?
N-benzyl-N-(3,4-dichlorophenyl)azetidin-3-amine has a molecular weight of 307.22 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(3,4-dichlorophenyl)azetidin-3-amine is sourced from PubChem (CID 118713765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).