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

C18H20Cl2N2 — CID 118713763

IUPACN-(3,4-dichlorophenyl)-N-(3-phenylpropyl)azetidin-3-amine
SMILESClc1ccc(N(CCCc2ccccc2)C2CNC2)cc1Cl
InChIInChI=1S/C18H20Cl2N2/c19-17-9-8-15(11-18(17)20)22(16-12-21-13-16)10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16,21H,4,7,10,12-13H2
InChIKeyWXWLFJMECDDEAB-UHFFFAOYSA-N
MW335.28 g/mol
LogP4.40
Rot. Bonds6

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

N-(3,4-dichlorophenyl)-N-(3-phenylpropyl)azetidin-3-amine (PubChem CID 118713763) has the molecular formula C18H20Cl2N2 and a molecular weight of 335.28 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N-(3-phenylpropyl)azetidin-3-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N-(3-phenylpropyl)azetidin-3-amine
PubChem CID118713763
Molecular FormulaC18H20Cl2N2
Molecular Weight335.28 g/mol
Exact Mass334.10
IUPAC NameN-(3,4-dichlorophenyl)-N-(3-phenylpropyl)azetidin-3-amine
SMILESClc1ccc(N(CCCc2ccccc2)C2CNC2)cc1Cl
InChIInChI=1S/C18H20Cl2N2/c19-17-9-8-15(11-18(17)20)22(16-12-21-13-16)10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16,21H,4,7,10,12-13H2
InChIKeyWXWLFJMECDDEAB-UHFFFAOYSA-N
XLogP4.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-Dichlorophenyl)piperazine
CID 93601
trans-4-(2-(4-(2,3-Dichlorophenyl)piperazin-1-yl)ethyl)cyclohexan-1-amine
CID 44621617
N-(3-chlorophenyl)-1-(2-phenylethyl)-4-piperidinamine
CID 52934004
N-benzyl-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 3236712
2-Benzyl-1-(3,4-dichlorophenyl)piperazine
CID 24782489
N-(4-(3-(2-(3,4-Dichlorophenylamino)ethylamino)-propyl)phenyl)methanesulfonamide
CID 44515310
N-(azetidin-3-ylmethyl)-N-[(4-chlorophenyl)methyl]aniline
CID 118713775
N-[(4-chlorophenyl)methyl]-N-(2-fluorophenyl)azetidin-3-amine
CID 118713805
N-Alpha-(4-chlorophenyl)-N4,N4-dimethyltoluene-alpha,4-diamine
CID 292416
N-(3,4-dichlorophenyl)-4-phenyl-3,6-dihydro-1(2H)-pyridinecarboxamide
CID 969798
1-(3,4-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
CID 10570563
1-(3,4-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine;hydrobromide
CID 49860020

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N-(3-phenylpropyl)azetidin-3-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-N-(3-phenylpropyl)azetidin-3-amine (CID 118713763) is N-(3,4-dichlorophenyl)-N-(3-phenylpropyl)azetidin-3-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N-(3-phenylpropyl)azetidin-3-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-N-(3-phenylpropyl)azetidin-3-amine is Clc1ccc(N(CCCc2ccccc2)C2CNC2)cc1Cl.
What is the InChIKey of N-(3,4-dichlorophenyl)-N-(3-phenylpropyl)azetidin-3-amine?
The InChIKey is WXWLFJMECDDEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2/c19-17-9-8-15(11-18(17)20)22(16-12-21-13-16)10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16,21H,4,7,10,12-13H2.
What are the key properties of N-(3,4-dichlorophenyl)-N-(3-phenylpropyl)azetidin-3-amine?
N-(3,4-dichlorophenyl)-N-(3-phenylpropyl)azetidin-3-amine has a molecular weight of 335.28 g/mol, XLogP of 4.40, 6 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-(3-phenylpropyl)azetidin-3-amine is sourced from PubChem (CID 118713763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).