(2R)-N,N-dibenzyl-2-(cyclopropylmethoxy)propan-1-amine

C21H27NO — CID 58213392

IUPAC(2R)-N,N-dibenzyl-2-(cyclopropylmethoxy)propan-1-amine
SMILESC[C@H](CN(Cc1ccccc1)Cc1ccccc1)OCC1CC1
InChIInChI=1S/C21H27NO/c1-18(23-17-21-12-13-21)14-22(15-19-8-4-2-5-9-19)16-20-10-6-3-7-11-20/h2-11,18,21H,12-17H2,1H3/t18-/m1/s1
InChIKeyUVNAADIIAAQIJU-GOSISDBHSA-N
MW309.45 g/mol
LogP4.50
Rot. Bonds9

About (2R)-N,N-dibenzyl-2-(cyclopropylmethoxy)propan-1-amine

(2R)-N,N-dibenzyl-2-(cyclopropylmethoxy)propan-1-amine (PubChem CID 58213392) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is (2R)-N,N-dibenzyl-2-(cyclopropylmethoxy)propan-1-amine.

Molecular Properties

Compound Name(2R)-N,N-dibenzyl-2-(cyclopropylmethoxy)propan-1-amine
PubChem CID58213392
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name(2R)-N,N-dibenzyl-2-(cyclopropylmethoxy)propan-1-amine
SMILESC[C@H](CN(Cc1ccccc1)Cc1ccccc1)OCC1CC1
InChIInChI=1S/C21H27NO/c1-18(23-17-21-12-13-21)14-22(15-19-8-4-2-5-9-19)16-20-10-6-3-7-11-20/h2-11,18,21H,12-17H2,1H3/t18-/m1/s1
InChIKeyUVNAADIIAAQIJU-GOSISDBHSA-N
XLogP4.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(cyclohexylmethoxy)propyl]-4-phenylbenzene
CID 71242539
N,N-dibenzyl-3-propan-2-yloxypropan-1-amine
CID 112820656
3-[[benzyl(ethyl)amino]methyl]cyclopentan-1-amine
CID 66008001
(2S)-2-(cyclopropylmethoxy)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)propanamide
CID 95293193
N-[2-(cyclohexylmethoxy)propyl]aniline
CID 62584399
2-(dibenzylamino)-1-phenylethanethiol
CID 134972021
2-[(dibenzylamino)methyl]-3-methylbutanenitrile
CID 131059101
1-(cyclopentylmethoxy)ethylbenzene
CID 90167891
1-(dibenzylamino)propane-2-sulfonic acid
CID 86077306
3-(2-aminoethoxy)-N,N-dibenzyl-2-fluorobutan-1-amine
CID 138695586
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dibenzyl-2-(cyclopropylmethoxy)propan-1-amine?
The IUPAC name of (2R)-N,N-dibenzyl-2-(cyclopropylmethoxy)propan-1-amine (CID 58213392) is (2R)-N,N-dibenzyl-2-(cyclopropylmethoxy)propan-1-amine.
What is the SMILES notation for (2R)-N,N-dibenzyl-2-(cyclopropylmethoxy)propan-1-amine?
The canonical SMILES for (2R)-N,N-dibenzyl-2-(cyclopropylmethoxy)propan-1-amine is C[C@H](CN(Cc1ccccc1)Cc1ccccc1)OCC1CC1.
What is the InChIKey of (2R)-N,N-dibenzyl-2-(cyclopropylmethoxy)propan-1-amine?
The InChIKey is UVNAADIIAAQIJU-GOSISDBHSA-N. The full InChI is InChI=1S/C21H27NO/c1-18(23-17-21-12-13-21)14-22(15-19-8-4-2-5-9-19)16-20-10-6-3-7-11-20/h2-11,18,21H,12-17H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-N,N-dibenzyl-2-(cyclopropylmethoxy)propan-1-amine?
(2R)-N,N-dibenzyl-2-(cyclopropylmethoxy)propan-1-amine has a molecular weight of 309.45 g/mol, XLogP of 4.50, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dibenzyl-2-(cyclopropylmethoxy)propan-1-amine is sourced from PubChem (CID 58213392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).