N-benzyl-2,2-dimethoxy-N-(2-phenylethyl)ethanamine

C19H25NO2 — CID 134942419

IUPACN-benzyl-2,2-dimethoxy-N-(2-phenylethyl)ethanamine
SMILESCOC(CN(CCc1ccccc1)Cc1ccccc1)OC
InChIInChI=1S/C19H25NO2/c1-21-19(22-2)16-20(15-18-11-7-4-8-12-18)14-13-17-9-5-3-6-10-17/h3-12,19H,13-16H2,1-2H3
InChIKeyAJGSOSAUICXKCE-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.35
Rot. Bonds9

About N-benzyl-2,2-dimethoxy-N-(2-phenylethyl)ethanamine

N-benzyl-2,2-dimethoxy-N-(2-phenylethyl)ethanamine (PubChem CID 134942419) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-benzyl-2,2-dimethoxy-N-(2-phenylethyl)ethanamine.

Molecular Properties

Compound NameN-benzyl-2,2-dimethoxy-N-(2-phenylethyl)ethanamine
PubChem CID134942419
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-benzyl-2,2-dimethoxy-N-(2-phenylethyl)ethanamine
SMILESCOC(CN(CCc1ccccc1)Cc1ccccc1)OC
InChIInChI=1S/C19H25NO2/c1-21-19(22-2)16-20(15-18-11-7-4-8-12-18)14-13-17-9-5-3-6-10-17/h3-12,19H,13-16H2,1-2H3
InChIKeyAJGSOSAUICXKCE-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
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

13-(Phenylmethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 130398
N,N-Dibenzylethanolamine
CID 22657
(Benzylamino)acetaldehyde diethyl acetal
CID 521961
7,16-Dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 3308751
10-Benzyl-1,4,7-trioxa-10-azacyclododecane
CID 766194
7,16-Bis[14-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)tetradecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 100928723
4-(1,2-Diphenylethyl)morpholine
CID 281037
7,16-Bis[16-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)hexadecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 100928724
(R)-(1-benzyl-4-(2,2-dimethoxyethyl)piperazin-2-yl)methanol
CID 44582608
4-Benzyl-4-methylmorpholin-4-ium
CID 16205156
Morpholine, 4-(1-phenylethyl)-
CID 600557
Ethyl 2-(dibenzylamino)acetate
CID 3553452

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dimethoxy-N-(2-phenylethyl)ethanamine?
The IUPAC name of N-benzyl-2,2-dimethoxy-N-(2-phenylethyl)ethanamine (CID 134942419) is N-benzyl-2,2-dimethoxy-N-(2-phenylethyl)ethanamine.
What is the SMILES notation for N-benzyl-2,2-dimethoxy-N-(2-phenylethyl)ethanamine?
The canonical SMILES for N-benzyl-2,2-dimethoxy-N-(2-phenylethyl)ethanamine is COC(CN(CCc1ccccc1)Cc1ccccc1)OC.
What is the InChIKey of N-benzyl-2,2-dimethoxy-N-(2-phenylethyl)ethanamine?
The InChIKey is AJGSOSAUICXKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-21-19(22-2)16-20(15-18-11-7-4-8-12-18)14-13-17-9-5-3-6-10-17/h3-12,19H,13-16H2,1-2H3.
What are the key properties of N-benzyl-2,2-dimethoxy-N-(2-phenylethyl)ethanamine?
N-benzyl-2,2-dimethoxy-N-(2-phenylethyl)ethanamine has a molecular weight of 299.41 g/mol, XLogP of 3.35, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-dimethoxy-N-(2-phenylethyl)ethanamine is sourced from PubChem (CID 134942419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).