N-(3,4-dichlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine

C20H18Cl2N2 — CID 118713766

IUPACN-(3,4-dichlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine
SMILESClc1ccc(N(Cc2ccc3ccccc3c2)C2CNC2)cc1Cl
InChIInChI=1S/C20H18Cl2N2/c21-19-8-7-17(10-20(19)22)24(18-11-23-12-18)13-14-5-6-15-3-1-2-4-16(15)9-14/h1-10,18,23H,11-13H2
InChIKeyZRWQJQNDWMIWEY-UHFFFAOYSA-N
MW357.28 g/mol
LogP5.12
Rot. Bonds4

About N-(3,4-dichlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine

N-(3,4-dichlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine (PubChem CID 118713766) has the molecular formula C20H18Cl2N2 and a molecular weight of 357.28 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine
PubChem CID118713766
Molecular FormulaC20H18Cl2N2
Molecular Weight357.28 g/mol
Exact Mass356.08
IUPAC NameN-(3,4-dichlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine
SMILESClc1ccc(N(Cc2ccc3ccccc3c2)C2CNC2)cc1Cl
InChIInChI=1S/C20H18Cl2N2/c21-19-8-7-17(10-20(19)22)24(18-11-23-12-18)13-14-5-6-15-3-1-2-4-16(15)9-14/h1-10,18,23H,11-13H2
InChIKeyZRWQJQNDWMIWEY-UHFFFAOYSA-N
XLogP5.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.28
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,4-dichlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Benzyl-1-(3,4-dichlorophenyl)piperazine
CID 24782489
N-(3-chlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine
CID 118713806
4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)-N-(naphthalen-2-ylmethyl)-N-propylbutan-1-amine
CID 53248348
1-(2,3-Dichlorophenyl)-4-(naphthalen-1-ylmethyl)piperazine
CID 72164300
N-(naphthalen-2-ylmethyl)-N-phenylazetidin-3-amine;hydrochloride
CID 118713757
N-(3,4-dichlorophenyl)-N-(2-phenylethyl)azetidin-3-amine
CID 118713762
N-(3,4-dichlorophenyl)-N-(3-phenylpropyl)azetidin-3-amine
CID 118713763
N-benzyl-N-(3,4-dichlorophenyl)azetidin-3-amine
CID 118713765
N-[(4-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)azetidin-3-amine
CID 118713767
N-(azetidin-3-ylmethyl)-3,4-dichloro-N-(naphthalen-2-ylmethyl)aniline
CID 118713777
4-chloro-N-[(4-fluorophenyl)-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]methyl]aniline
CID 19771990
N-(naphthalen-2-ylmethyl)-N-phenylazetidin-3-amine
CID 118713758

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine (CID 118713766) is N-(3,4-dichlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine is Clc1ccc(N(Cc2ccc3ccccc3c2)C2CNC2)cc1Cl.
What is the InChIKey of N-(3,4-dichlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine?
The InChIKey is ZRWQJQNDWMIWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2/c21-19-8-7-17(10-20(19)22)24(18-11-23-12-18)13-14-5-6-15-3-1-2-4-16(15)9-14/h1-10,18,23H,11-13H2.
What are the key properties of N-(3,4-dichlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine?
N-(3,4-dichlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine has a molecular weight of 357.28 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine is sourced from PubChem (CID 118713766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).