N-benzhydryl-3-methylazetidin-3-amine;hydrochloride

C17H21ClN2 — CID 90219677

IUPACN-benzhydryl-3-methylazetidin-3-amine;hydrochloride
SMILESCC1(NC(c2ccccc2)c2ccccc2)CNC1.Cl
InChIInChI=1S/C17H20N2.ClH/c1-17(12-18-13-17)19-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15;/h2-11,16,18-19H,12-13H2,1H3;1H
InChIKeyYPRUMOCEFZFTOB-UHFFFAOYSA-N
MW288.82 g/mol
LogP3.15
Rot. Bonds4

About N-benzhydryl-3-methylazetidin-3-amine;hydrochloride

N-benzhydryl-3-methylazetidin-3-amine;hydrochloride (PubChem CID 90219677) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is N-benzhydryl-3-methylazetidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-benzhydryl-3-methylazetidin-3-amine;hydrochloride
PubChem CID90219677
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC NameN-benzhydryl-3-methylazetidin-3-amine;hydrochloride
SMILESCC1(NC(c2ccccc2)c2ccccc2)CNC1.Cl
InChIInChI=1S/C17H20N2.ClH/c1-17(12-18-13-17)19-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15;/h2-11,16,18-19H,12-13H2,1H3;1H
InChIKeyYPRUMOCEFZFTOB-UHFFFAOYSA-N
XLogP3.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-methylazetidin-3-amine;hydrochloride?
The IUPAC name of N-benzhydryl-3-methylazetidin-3-amine;hydrochloride (CID 90219677) is N-benzhydryl-3-methylazetidin-3-amine;hydrochloride.
What is the SMILES notation for N-benzhydryl-3-methylazetidin-3-amine;hydrochloride?
The canonical SMILES for N-benzhydryl-3-methylazetidin-3-amine;hydrochloride is CC1(NC(c2ccccc2)c2ccccc2)CNC1.Cl.
What is the InChIKey of N-benzhydryl-3-methylazetidin-3-amine;hydrochloride?
The InChIKey is YPRUMOCEFZFTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2.ClH/c1-17(12-18-13-17)19-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15;/h2-11,16,18-19H,12-13H2,1H3;1H.
What are the key properties of N-benzhydryl-3-methylazetidin-3-amine;hydrochloride?
N-benzhydryl-3-methylazetidin-3-amine;hydrochloride has a molecular weight of 288.82 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-methylazetidin-3-amine;hydrochloride is sourced from PubChem (CID 90219677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).