(3S,4S)-N,N-dibenzyl-4-methoxyoxolan-3-amine

C19H23NO2 — CID 171819016

IUPAC(3S,4S)-N,N-dibenzyl-4-methoxyoxolan-3-amine
SMILESCO[C@@H]1COC[C@@H]1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO2/c1-21-19-15-22-14-18(19)20(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3/t18-,19+/m0/s1
InChIKeyWKOFFTLRXCJYJP-RBUKOAKNSA-N
MW297.40 g/mol
LogP3.10
Rot. Bonds6

About (3S,4S)-N,N-dibenzyl-4-methoxyoxolan-3-amine

(3S,4S)-N,N-dibenzyl-4-methoxyoxolan-3-amine (PubChem CID 171819016) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (3S,4S)-N,N-dibenzyl-4-methoxyoxolan-3-amine.

Molecular Properties

Compound Name(3S,4S)-N,N-dibenzyl-4-methoxyoxolan-3-amine
PubChem CID171819016
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(3S,4S)-N,N-dibenzyl-4-methoxyoxolan-3-amine
SMILESCO[C@@H]1COC[C@@H]1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO2/c1-21-19-15-22-14-18(19)20(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3/t18-,19+/m0/s1
InChIKeyWKOFFTLRXCJYJP-RBUKOAKNSA-N
XLogP3.10
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 97461483
8-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118746817
4,10-Dibenzyl-1,7-dioxa-4,10-diazacyclododecane
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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N,N-dibenzyl-4-methoxyoxolan-3-amine?
The IUPAC name of (3S,4S)-N,N-dibenzyl-4-methoxyoxolan-3-amine (CID 171819016) is (3S,4S)-N,N-dibenzyl-4-methoxyoxolan-3-amine.
What is the SMILES notation for (3S,4S)-N,N-dibenzyl-4-methoxyoxolan-3-amine?
The canonical SMILES for (3S,4S)-N,N-dibenzyl-4-methoxyoxolan-3-amine is CO[C@@H]1COC[C@@H]1N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (3S,4S)-N,N-dibenzyl-4-methoxyoxolan-3-amine?
The InChIKey is WKOFFTLRXCJYJP-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H23NO2/c1-21-19-15-22-14-18(19)20(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3/t18-,19+/m0/s1.
What are the key properties of (3S,4S)-N,N-dibenzyl-4-methoxyoxolan-3-amine?
(3S,4S)-N,N-dibenzyl-4-methoxyoxolan-3-amine has a molecular weight of 297.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N,N-dibenzyl-4-methoxyoxolan-3-amine is sourced from PubChem (CID 171819016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).