N,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-phenylmethanamine

C26H29NO2 — CID 3821208

IUPACN,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-phenylmethanamine
SMILESCC1(C)OCC(C(c2ccccc2)N(Cc2ccccc2)Cc2ccccc2)O1
InChIInChI=1S/C26H29NO2/c1-26(2)28-20-24(29-26)25(23-16-10-5-11-17-23)27(18-21-12-6-3-7-13-21)19-22-14-8-4-9-15-22/h3-17,24-25H,18-20H2,1-2H3
InChIKeyCRAHOPKEPSVKBZ-UHFFFAOYSA-N
MW387.52 g/mol
LogP5.58
Rot. Bonds7

About N,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-phenylmethanamine

N,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-phenylmethanamine (PubChem CID 3821208) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is N,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-phenylmethanamine.

Molecular Properties

Compound NameN,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-phenylmethanamine
PubChem CID3821208
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC NameN,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-phenylmethanamine
SMILESCC1(C)OCC(C(c2ccccc2)N(Cc2ccccc2)Cc2ccccc2)O1
InChIInChI=1S/C26H29NO2/c1-26(2)28-20-24(29-26)25(23-16-10-5-11-17-23)27(18-21-12-6-3-7-13-21)19-22-14-8-4-9-15-22/h3-17,24-25H,18-20H2,1-2H3
InChIKeyCRAHOPKEPSVKBZ-UHFFFAOYSA-N
XLogP5.58
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-4-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperazine
CID 127026552
1-Benzyl-4-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]piperazine
CID 127027488
1-Benzyl-4-[(2,2-dicyclohexyl-1,3-dioxolan-4-yl)methyl]piperazine
CID 127027495
1,3-Dioxolane, 2,2-diphenyl-4-(1-methyl-2-piperidyl)-
CID 59209
(2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]-1-propylpiperidine
CID 44276033
(2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]-1-methylpiperidine
CID 44276165
(2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]-1-ethylpiperidine
CID 44276226
1-Benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxypiperidin-1-ium chloride
CID 48180
(2S)-1-benzyl-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine
CID 44275981
(2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]-1-prop-2-enylpiperidine
CID 44276223
(2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]-1-hexylpiperidine
CID 44276237
N,N-dibenzyl-3(S)-amino-1,2(S)-epoxy-4-phenylbutane
CID 9798180

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-phenylmethanamine?
The IUPAC name of N,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-phenylmethanamine (CID 3821208) is N,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-phenylmethanamine.
What is the SMILES notation for N,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-phenylmethanamine?
The canonical SMILES for N,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-phenylmethanamine is CC1(C)OCC(C(c2ccccc2)N(Cc2ccccc2)Cc2ccccc2)O1.
What is the InChIKey of N,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-phenylmethanamine?
The InChIKey is CRAHOPKEPSVKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2/c1-26(2)28-20-24(29-26)25(23-16-10-5-11-17-23)27(18-21-12-6-3-7-13-21)19-22-14-8-4-9-15-22/h3-17,24-25H,18-20H2,1-2H3.
What are the key properties of N,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-phenylmethanamine?
N,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-phenylmethanamine has a molecular weight of 387.52 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-phenylmethanamine is sourced from PubChem (CID 3821208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).