N,N-dibenzyl-2,2-dimethoxy-1-phenylethanamine

C24H27NO2 — CID 102456514

IUPACN,N-dibenzyl-2,2-dimethoxy-1-phenylethanamine
SMILESCOC(OC)C(c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H27NO2/c1-26-24(27-2)23(22-16-10-5-11-17-22)25(18-20-12-6-3-7-13-20)19-21-14-8-4-9-15-21/h3-17,23-24H,18-19H2,1-2H3
InChIKeyAGHSESVQPUITMX-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.05
Rot. Bonds9

About N,N-dibenzyl-2,2-dimethoxy-1-phenylethanamine

N,N-dibenzyl-2,2-dimethoxy-1-phenylethanamine (PubChem CID 102456514) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N,N-dibenzyl-2,2-dimethoxy-1-phenylethanamine.

Molecular Properties

Compound NameN,N-dibenzyl-2,2-dimethoxy-1-phenylethanamine
PubChem CID102456514
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC NameN,N-dibenzyl-2,2-dimethoxy-1-phenylethanamine
SMILESCOC(OC)C(c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H27NO2/c1-26-24(27-2)23(22-16-10-5-11-17-22)25(18-20-12-6-3-7-13-20)19-21-14-8-4-9-15-21/h3-17,23-24H,18-19H2,1-2H3
InChIKeyAGHSESVQPUITMX-UHFFFAOYSA-N
XLogP5.05
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.05
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

(S)-(+)-2-(Dibenzylamino)-3-phenyl-1-propanol
CID 7019180
(betaR)-beta-[Bis(phenylmethyl)amino]benzenepropanol
CID 16217014
Aprepitant Impurity 81
CID 123159573
N,N-dibenzyl-3(S)-amino-1,2(S)-epoxy-4-phenylbutane
CID 9798180
(s)-N,N-dibenzylphenylglycinol
CID 10734282
(2S,3R)-3-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholin-2-ol
CID 11833536
(2,2-Dimethoxy-1-phenylethyl)(methyl)amine
CID 79492325
(1S,2R,3S)-1-(dibenzylamino)-3-fluoro-1-phenylbutan-2-ol
CID 71501124
1-(1-Phenyl-2-acetoxyethyl)-1,2,5,6-tetrahydropyridine
CID 72745116
(10S)-10-benzyl-9-methyl-12-oxa-9-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene
CID 102241228
trans-4-Benzyl-3-phenyl-morpholin-2-ol
CID 10516129
(1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]-2-phenylethanamine
CID 11046158

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2,2-dimethoxy-1-phenylethanamine?
The IUPAC name of N,N-dibenzyl-2,2-dimethoxy-1-phenylethanamine (CID 102456514) is N,N-dibenzyl-2,2-dimethoxy-1-phenylethanamine.
What is the SMILES notation for N,N-dibenzyl-2,2-dimethoxy-1-phenylethanamine?
The canonical SMILES for N,N-dibenzyl-2,2-dimethoxy-1-phenylethanamine is COC(OC)C(c1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2,2-dimethoxy-1-phenylethanamine?
The InChIKey is AGHSESVQPUITMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-26-24(27-2)23(22-16-10-5-11-17-22)25(18-20-12-6-3-7-13-20)19-21-14-8-4-9-15-21/h3-17,23-24H,18-19H2,1-2H3.
What are the key properties of N,N-dibenzyl-2,2-dimethoxy-1-phenylethanamine?
N,N-dibenzyl-2,2-dimethoxy-1-phenylethanamine has a molecular weight of 361.49 g/mol, XLogP of 5.05, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2,2-dimethoxy-1-phenylethanamine is sourced from PubChem (CID 102456514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).