N-benzhydryl-N-methylazetidin-3-amine

C17H20N2 — CID 66187999

IUPACN-benzhydryl-N-methylazetidin-3-amine
SMILESCN(C1CNC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2/c1-19(16-12-18-13-16)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-18H,12-13H2,1H3
InChIKeyGDMYSWIAQOAXHB-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.68
Rot. Bonds4

About N-benzhydryl-N-methylazetidin-3-amine

N-benzhydryl-N-methylazetidin-3-amine (PubChem CID 66187999) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-benzhydryl-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-benzhydryl-N-methylazetidin-3-amine
PubChem CID66187999
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN-benzhydryl-N-methylazetidin-3-amine
SMILESCN(C1CNC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2/c1-19(16-12-18-13-16)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-18H,12-13H2,1H3
InChIKeyGDMYSWIAQOAXHB-UHFFFAOYSA-N
XLogP2.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dimethylphenyl)-phenylmethyl]-N-methylazetidin-3-amine
CID 66188467
1-(azetidin-3-yl)-1-benzhydrylhydrazine
CID 174629729
N-[phenyl(pyridin-2-yl)methyl]-N-propylazetidin-3-amine
CID 66183071
N-benzhydryl-N-ethylpyrrolidin-3-amine
CID 63299768
N-[1-(3-chlorophenyl)ethyl]-N-methylazetidin-3-amine
CID 62979516
N-[1-(2-chlorophenyl)ethyl]-N-methylazetidin-3-amine
CID 62978284
N-ethyl-N-[furan-2-yl(phenyl)methyl]azetidin-3-amine
CID 66184000
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylazetidin-3-amine
CID 65486084
2-hydroxy-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide
CID 55172570
N-methyl-N-[1-(4-phenylphenyl)ethyl]pyrrolidin-3-amine
CID 63297346
methyl 2-[methyl(pyrrolidin-3-yl)amino]-2-phenylacetate
CID 175212837
N-(2,3-dihydro-1H-inden-2-yl)-N-methylazetidin-3-amine
CID 66185429

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-N-methylazetidin-3-amine?
The IUPAC name of N-benzhydryl-N-methylazetidin-3-amine (CID 66187999) is N-benzhydryl-N-methylazetidin-3-amine.
What is the SMILES notation for N-benzhydryl-N-methylazetidin-3-amine?
The canonical SMILES for N-benzhydryl-N-methylazetidin-3-amine is CN(C1CNC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-N-methylazetidin-3-amine?
The InChIKey is GDMYSWIAQOAXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-19(16-12-18-13-16)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-18H,12-13H2,1H3.
What are the key properties of N-benzhydryl-N-methylazetidin-3-amine?
N-benzhydryl-N-methylazetidin-3-amine has a molecular weight of 252.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-N-methylazetidin-3-amine is sourced from PubChem (CID 66187999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).