N,N-dibenzyl-1,1-diethoxymethanamine

C19H25NO2 — CID 71360875

IUPACN,N-dibenzyl-1,1-diethoxymethanamine
SMILESCCOC(OCC)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H25NO2/c1-3-21-19(22-4-2)20(15-17-11-7-5-8-12-17)16-18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3
InChIKeyYBHZRSRBUSCPBE-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.05
Rot. Bonds9

About N,N-dibenzyl-1,1-diethoxymethanamine

N,N-dibenzyl-1,1-diethoxymethanamine (PubChem CID 71360875) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N,N-dibenzyl-1,1-diethoxymethanamine.

Molecular Properties

Compound NameN,N-dibenzyl-1,1-diethoxymethanamine
PubChem CID71360875
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN,N-dibenzyl-1,1-diethoxymethanamine
SMILESCCOC(OCC)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H25NO2/c1-3-21-19(22-4-2)20(15-17-11-7-5-8-12-17)16-18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3
InChIKeyYBHZRSRBUSCPBE-UHFFFAOYSA-N
XLogP4.05
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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1,1-diethoxyethane;2-phenylethylbenzene
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(2S)-2-[benzyl(ethyl)amino]propan-1-ol
CID 14327251
N,N-dibenzyl-2-methyl-1-phenylhexan-3-amine
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(2R)-2-(dibenzylamino)butanoic acid
CID 141083038
2-ethoxy-3-phenylpropanoic acid
CID 54403311
(2-bromo-2-ethoxyethyl)benzene
CID 18694508
ethyl (2S)-2,3-bis(dibenzylamino)propanoate
CID 146168369
4-(dibenzylamino)-2-ethoxybutanoic acid
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(2R)-2-(dibenzylamino)pentan-3-one
CID 11219765

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-1,1-diethoxymethanamine?
The IUPAC name of N,N-dibenzyl-1,1-diethoxymethanamine (CID 71360875) is N,N-dibenzyl-1,1-diethoxymethanamine.
What is the SMILES notation for N,N-dibenzyl-1,1-diethoxymethanamine?
The canonical SMILES for N,N-dibenzyl-1,1-diethoxymethanamine is CCOC(OCC)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-1,1-diethoxymethanamine?
The InChIKey is YBHZRSRBUSCPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-3-21-19(22-4-2)20(15-17-11-7-5-8-12-17)16-18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3.
What are the key properties of N,N-dibenzyl-1,1-diethoxymethanamine?
N,N-dibenzyl-1,1-diethoxymethanamine has a molecular weight of 299.41 g/mol, XLogP of 4.05, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1,1-diethoxymethanamine is sourced from PubChem (CID 71360875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).