N-phenyl-N-(3-phenylpropyl)azetidin-3-amine

C18H22N2 — CID 118713761

IUPACN-phenyl-N-(3-phenylpropyl)azetidin-3-amine
SMILESc1ccc(CCCN(c2ccccc2)C2CNC2)cc1
InChIInChI=1S/C18H22N2/c1-3-8-16(9-4-1)10-7-13-20(18-14-19-15-18)17-11-5-2-6-12-17/h1-6,8-9,11-12,18-19H,7,10,13-15H2
InChIKeyHRVOVTQQBGVYAV-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.10
Rot. Bonds6

About N-phenyl-N-(3-phenylpropyl)azetidin-3-amine

N-phenyl-N-(3-phenylpropyl)azetidin-3-amine (PubChem CID 118713761) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-phenyl-N-(3-phenylpropyl)azetidin-3-amine.

Molecular Properties

Compound NameN-phenyl-N-(3-phenylpropyl)azetidin-3-amine
PubChem CID118713761
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-phenyl-N-(3-phenylpropyl)azetidin-3-amine
SMILESc1ccc(CCCN(c2ccccc2)C2CNC2)cc1
InChIInChI=1S/C18H22N2/c1-3-8-16(9-4-1)10-7-13-20(18-14-19-15-18)17-11-5-2-6-12-17/h1-6,8-9,11-12,18-19H,7,10,13-15H2
InChIKeyHRVOVTQQBGVYAV-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(3-phenylpropyl)azetidin-3-amine?
The IUPAC name of N-phenyl-N-(3-phenylpropyl)azetidin-3-amine (CID 118713761) is N-phenyl-N-(3-phenylpropyl)azetidin-3-amine.
What is the SMILES notation for N-phenyl-N-(3-phenylpropyl)azetidin-3-amine?
The canonical SMILES for N-phenyl-N-(3-phenylpropyl)azetidin-3-amine is c1ccc(CCCN(c2ccccc2)C2CNC2)cc1.
What is the InChIKey of N-phenyl-N-(3-phenylpropyl)azetidin-3-amine?
The InChIKey is HRVOVTQQBGVYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-3-8-16(9-4-1)10-7-13-20(18-14-19-15-18)17-11-5-2-6-12-17/h1-6,8-9,11-12,18-19H,7,10,13-15H2.
What are the key properties of N-phenyl-N-(3-phenylpropyl)azetidin-3-amine?
N-phenyl-N-(3-phenylpropyl)azetidin-3-amine has a molecular weight of 266.39 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(3-phenylpropyl)azetidin-3-amine is sourced from PubChem (CID 118713761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).