2,2-dibenzyl-3,4-dimethyloxetan-3-amine

C19H23NO — CID 169032077

IUPAC2,2-dibenzyl-3,4-dimethyloxetan-3-amine
SMILESCC1OC(Cc2ccccc2)(Cc2ccccc2)C1(C)N
InChIInChI=1S/C19H23NO/c1-15-18(2,20)19(21-15,13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,15H,13-14,20H2,1-2H3
InChIKeyNTDIZUPSYCOYAJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.35
Rot. Bonds4

About 2,2-dibenzyl-3,4-dimethyloxetan-3-amine

2,2-dibenzyl-3,4-dimethyloxetan-3-amine (PubChem CID 169032077) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2,2-dibenzyl-3,4-dimethyloxetan-3-amine.

Molecular Properties

Compound Name2,2-dibenzyl-3,4-dimethyloxetan-3-amine
PubChem CID169032077
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2,2-dibenzyl-3,4-dimethyloxetan-3-amine
SMILESCC1OC(Cc2ccccc2)(Cc2ccccc2)C1(C)N
InChIInChI=1S/C19H23NO/c1-15-18(2,20)19(21-15,13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,15H,13-14,20H2,1-2H3
InChIKeyNTDIZUPSYCOYAJ-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dibenzyl-3,4-dimethyloxetan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzyl-3-methyloxiran-2-amine
CID 130712281
1-benzyl-3-methyl-2,4-dioxabicyclo[1.1.0]butane
CID 141419517
(3aS,6aR)-5-benzyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
CID 11831337
(3aR,4R,6S,6aS)-5-benzyl-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
CID 10869050
2-benzyl-2,6-dimethyloxane-3,4-dione
CID 123758723
N-benzyl-1-(2,3-dimethyloxiran-2-yl)ethanamine
CID 23268450
3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-amine
CID 70655281
(3R,4R)-2,4-dibenzyl-3,4-dimethyl-1,2-oxazolidin-5-one
CID 58426099
butyl N-(2-benzyl-3-methyloxiran-2-yl)carbamate
CID 87276285
1-benzyl-2,2-dimethylcyclopentan-1-amine
CID 79857228
1-benzyl-2,2-dimethylcyclohexan-1-amine
CID 79836797
2-benzyl-3-ethyloxiran-2-ol
CID 141291266

Frequently Asked Questions

What is the IUPAC name of 2,2-dibenzyl-3,4-dimethyloxetan-3-amine?
The IUPAC name of 2,2-dibenzyl-3,4-dimethyloxetan-3-amine (CID 169032077) is 2,2-dibenzyl-3,4-dimethyloxetan-3-amine.
What is the SMILES notation for 2,2-dibenzyl-3,4-dimethyloxetan-3-amine?
The canonical SMILES for 2,2-dibenzyl-3,4-dimethyloxetan-3-amine is CC1OC(Cc2ccccc2)(Cc2ccccc2)C1(C)N.
What is the InChIKey of 2,2-dibenzyl-3,4-dimethyloxetan-3-amine?
The InChIKey is NTDIZUPSYCOYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-15-18(2,20)19(21-15,13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,15H,13-14,20H2,1-2H3.
What are the key properties of 2,2-dibenzyl-3,4-dimethyloxetan-3-amine?
2,2-dibenzyl-3,4-dimethyloxetan-3-amine has a molecular weight of 281.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibenzyl-3,4-dimethyloxetan-3-amine is sourced from PubChem (CID 169032077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).