(2R)-N,N-dibenzyl-2-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine

C21H27NO2 — CID 134951007

IUPAC(2R)-N,N-dibenzyl-2-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine
SMILESC[C@H](CN(Cc1ccccc1)Cc1ccccc1)C1(C)OCCO1
InChIInChI=1S/C21H27NO2/c1-18(21(2)23-13-14-24-21)15-22(16-19-9-5-3-6-10-19)17-20-11-7-4-8-12-20/h3-12,18H,13-17H2,1-2H3/t18-/m1/s1
InChIKeyDTINEHVAULMUOS-GOSISDBHSA-N
MW325.45 g/mol
LogP4.09
Rot. Bonds7

About (2R)-N,N-dibenzyl-2-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine

(2R)-N,N-dibenzyl-2-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine (PubChem CID 134951007) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is (2R)-N,N-dibenzyl-2-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name(2R)-N,N-dibenzyl-2-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine
PubChem CID134951007
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name(2R)-N,N-dibenzyl-2-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine
SMILESC[C@H](CN(Cc1ccccc1)Cc1ccccc1)C1(C)OCCO1
InChIInChI=1S/C21H27NO2/c1-18(21(2)23-13-14-24-21)15-22(16-19-9-5-3-6-10-19)17-20-11-7-4-8-12-20/h3-12,18H,13-17H2,1-2H3/t18-/m1/s1
InChIKeyDTINEHVAULMUOS-GOSISDBHSA-N
XLogP4.09
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.09
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
AJ-190/13485012
CID 899309
1,4-Dioxa-8-azaspiro(4,5)decane, 6-methyl-8-(1-phenylcyclohexyl)-, hydrobromide
CID 58201
(8-Benzyl-1,4-dioxa-8-aza-spiro(4.5)dec-6-YL)-methanol
CID 3563668
8-Benzyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 726449
1-Benzyl-4,4-dimethoxypiperidine
CID 563186
(3S,4S)-1-benzyl-3,4-bis(methoxymethoxy)pyrrolidine
CID 15114850
N,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)propanamide
CID 10640829
N,N-dibenzyl-1,1-dimethoxymethanamine
CID 11129415
N,N-dibenzyl-1-(2-(2-methyl-1,3-dioxolan-2-yl)ethyl)cyclopropan-1-amine
CID 21670167
8-[(2-Fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6464317
8-[(3-Fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6466091

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dibenzyl-2-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine?
The IUPAC name of (2R)-N,N-dibenzyl-2-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine (CID 134951007) is (2R)-N,N-dibenzyl-2-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine.
What is the SMILES notation for (2R)-N,N-dibenzyl-2-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine?
The canonical SMILES for (2R)-N,N-dibenzyl-2-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine is C[C@H](CN(Cc1ccccc1)Cc1ccccc1)C1(C)OCCO1.
What is the InChIKey of (2R)-N,N-dibenzyl-2-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine?
The InChIKey is DTINEHVAULMUOS-GOSISDBHSA-N. The full InChI is InChI=1S/C21H27NO2/c1-18(21(2)23-13-14-24-21)15-22(16-19-9-5-3-6-10-19)17-20-11-7-4-8-12-20/h3-12,18H,13-17H2,1-2H3/t18-/m1/s1.
What are the key properties of (2R)-N,N-dibenzyl-2-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine?
(2R)-N,N-dibenzyl-2-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine has a molecular weight of 325.45 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dibenzyl-2-(2-methyl-1,3-dioxolan-2-yl)propan-1-amine is sourced from PubChem (CID 134951007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).