(1S)-N,N-dibenzyl-1-[(2S)-3-methoxy-2,5-dihydrofuran-2-yl]-2-phenylethanamine

C27H29NO2 — CID 10092351

IUPAC(1S)-N,N-dibenzyl-1-[(2S)-3-methoxy-2,5-dihydrofuran-2-yl]-2-phenylethanamine
SMILESCOC1=CCO[C@H]1[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H29NO2/c1-29-26-17-18-30-27(26)25(19-22-11-5-2-6-12-22)28(20-23-13-7-3-8-14-23)21-24-15-9-4-10-16-24/h2-17,25,27H,18-21H2,1H3/t25-,27-/m0/s1
InChIKeyCOYTUQREADLXJW-BDYUSTAISA-N
MW399.53 g/mol
LogP5.23
Rot. Bonds9

About (1S)-N,N-dibenzyl-1-[(2S)-3-methoxy-2,5-dihydrofuran-2-yl]-2-phenylethanamine

(1S)-N,N-dibenzyl-1-[(2S)-3-methoxy-2,5-dihydrofuran-2-yl]-2-phenylethanamine (PubChem CID 10092351) has the molecular formula C27H29NO2 and a molecular weight of 399.53 g/mol. Its IUPAC name is (1S)-N,N-dibenzyl-1-[(2S)-3-methoxy-2,5-dihydrofuran-2-yl]-2-phenylethanamine.

Molecular Properties

Compound Name(1S)-N,N-dibenzyl-1-[(2S)-3-methoxy-2,5-dihydrofuran-2-yl]-2-phenylethanamine
PubChem CID10092351
Molecular FormulaC27H29NO2
Molecular Weight399.53 g/mol
Exact Mass399.22
IUPAC Name(1S)-N,N-dibenzyl-1-[(2S)-3-methoxy-2,5-dihydrofuran-2-yl]-2-phenylethanamine
SMILESCOC1=CCO[C@H]1[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H29NO2/c1-29-26-17-18-30-27(26)25(19-22-11-5-2-6-12-22)28(20-23-13-7-3-8-14-23)21-24-15-9-4-10-16-24/h2-17,25,27H,18-21H2,1H3/t25-,27-/m0/s1
InChIKeyCOYTUQREADLXJW-BDYUSTAISA-N
XLogP5.23
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.53
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S)-N,N-dibenzyl-1-[(2S)-3-methoxy-2,5-dihydrofuran-2-yl]-2-phenylethanamine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1S)-N,N-dibenzyl-1-[(2S)-3-methoxy-2,5-dihydrofuran-2-yl]-2-phenylethanamine?
The IUPAC name of (1S)-N,N-dibenzyl-1-[(2S)-3-methoxy-2,5-dihydrofuran-2-yl]-2-phenylethanamine (CID 10092351) is (1S)-N,N-dibenzyl-1-[(2S)-3-methoxy-2,5-dihydrofuran-2-yl]-2-phenylethanamine.
What is the SMILES notation for (1S)-N,N-dibenzyl-1-[(2S)-3-methoxy-2,5-dihydrofuran-2-yl]-2-phenylethanamine?
The canonical SMILES for (1S)-N,N-dibenzyl-1-[(2S)-3-methoxy-2,5-dihydrofuran-2-yl]-2-phenylethanamine is COC1=CCO[C@H]1[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (1S)-N,N-dibenzyl-1-[(2S)-3-methoxy-2,5-dihydrofuran-2-yl]-2-phenylethanamine?
The InChIKey is COYTUQREADLXJW-BDYUSTAISA-N. The full InChI is InChI=1S/C27H29NO2/c1-29-26-17-18-30-27(26)25(19-22-11-5-2-6-12-22)28(20-23-13-7-3-8-14-23)21-24-15-9-4-10-16-24/h2-17,25,27H,18-21H2,1H3/t25-,27-/m0/s1.
What are the key properties of (1S)-N,N-dibenzyl-1-[(2S)-3-methoxy-2,5-dihydrofuran-2-yl]-2-phenylethanamine?
(1S)-N,N-dibenzyl-1-[(2S)-3-methoxy-2,5-dihydrofuran-2-yl]-2-phenylethanamine has a molecular weight of 399.53 g/mol, XLogP of 5.23, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,N-dibenzyl-1-[(2S)-3-methoxy-2,5-dihydrofuran-2-yl]-2-phenylethanamine is sourced from PubChem (CID 10092351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).