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

C16H16Cl2N2 — CID 142720768

IUPACN-[(3,4-dichlorophenyl)methyl]-N-phenylazetidin-3-amine
SMILESClc1ccc(CN(c2ccccc2)C2CNC2)cc1Cl
InChIInChI=1S/C16H16Cl2N2/c17-15-7-6-12(8-16(15)18)11-20(14-9-19-10-14)13-4-2-1-3-5-13/h1-8,14,19H,9-11H2
InChIKeyPMMREMOEVNNBLX-UHFFFAOYSA-N
MW307.22 g/mol
LogP3.97
Rot. Bonds4

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

N-[(3,4-dichlorophenyl)methyl]-N-phenylazetidin-3-amine (PubChem CID 142720768) has the molecular formula C16H16Cl2N2 and a molecular weight of 307.22 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-phenylazetidin-3-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-phenylazetidin-3-amine
PubChem CID142720768
Molecular FormulaC16H16Cl2N2
Molecular Weight307.22 g/mol
Exact Mass306.07
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-phenylazetidin-3-amine
SMILESClc1ccc(CN(c2ccccc2)C2CNC2)cc1Cl
InChIInChI=1S/C16H16Cl2N2/c17-15-7-6-12(8-16(15)18)11-20(14-9-19-10-14)13-4-2-1-3-5-13/h1-8,14,19H,9-11H2
InChIKeyPMMREMOEVNNBLX-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

N-(3,4-dichlorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine
CID 118713766
N-(naphthalen-2-ylmethyl)-N-phenylazetidin-3-amine;hydrochloride
CID 118713757
N-[(3,4-dichlorophenyl)methyl]-N-(4-methylphenyl)piperidin-4-amine
CID 23137586
N-(azetidin-3-ylmethyl)-N-benzyl-3,4-dichloroaniline
CID 118713776
N-[(3,4-dichlorophenyl)methyl]-N-methylcyclopentanamine
CID 90686398
3-[[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]methyl]aniline
CID 43460843
3-[N-(azetidin-3-yl)anilino]propanenitrile
CID 79468996
N-(2-fluorophenyl)-N-(naphthalen-2-ylmethyl)azetidin-3-amine
CID 118713772
N-[(3,4-dichlorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 54923832
N-(cyclohexylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine
CID 58624330
N-(cyclopropylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine
CID 58624329
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119740768

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-phenylazetidin-3-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-phenylazetidin-3-amine (CID 142720768) is N-[(3,4-dichlorophenyl)methyl]-N-phenylazetidin-3-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-phenylazetidin-3-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-phenylazetidin-3-amine is Clc1ccc(CN(c2ccccc2)C2CNC2)cc1Cl.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-phenylazetidin-3-amine?
The InChIKey is PMMREMOEVNNBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2/c17-15-7-6-12(8-16(15)18)11-20(14-9-19-10-14)13-4-2-1-3-5-13/h1-8,14,19H,9-11H2.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-phenylazetidin-3-amine?
N-[(3,4-dichlorophenyl)methyl]-N-phenylazetidin-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-[(3,4-dichlorophenyl)methyl]-N-phenylazetidin-3-amine is sourced from PubChem (CID 142720768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).