N-(2,2-diethoxyethyl)-2,2-diphenylethanamine

C40H54N2O4 — CID 70269046

IUPACN-(2,2-diethoxyethyl)-2,2-diphenylethanamine
SMILESCCOC(CNCC(c1ccccc1)c1ccccc1)OCC.CCOC(CNCC(c1ccccc1)c1ccccc1)OCC
InChIInChI=1S/2C20H27NO2/c2*1-3-22-20(23-4-2)16-21-15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h2*5-14,19-21H,3-4,15-16H2,1-2H3
InChIKeyLDQASTWNNXOKDK-UHFFFAOYSA-N
MW626.88 g/mol
LogP7.61
Rot. Bonds20

About N-(2,2-diethoxyethyl)-2,2-diphenylethanamine

N-(2,2-diethoxyethyl)-2,2-diphenylethanamine (PubChem CID 70269046) has the molecular formula C40H54N2O4 and a molecular weight of 626.88 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-2,2-diphenylethanamine.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-2,2-diphenylethanamine
PubChem CID70269046
Molecular FormulaC40H54N2O4
Molecular Weight626.88 g/mol
Exact Mass626.41
IUPAC NameN-(2,2-diethoxyethyl)-2,2-diphenylethanamine
SMILESCCOC(CNCC(c1ccccc1)c1ccccc1)OCC.CCOC(CNCC(c1ccccc1)c1ccccc1)OCC
InChIInChI=1S/2C20H27NO2/c2*1-3-22-20(23-4-2)16-21-15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h2*5-14,19-21H,3-4,15-16H2,1-2H3
InChIKeyLDQASTWNNXOKDK-UHFFFAOYSA-N
XLogP7.61
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.88
LogP ≤ 57.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-diphenylethyl)-2-ethylbutan-1-amine
CID 103603252
N-(2,2-diethoxyethyl)-2-methyl-1-phenylpropan-1-amine
CID 79548467
N-(2,2-diphenylethyl)-2-methylbutan-1-amine
CID 107292737
2-amino-N-(2,2-diethoxyethyl)-2-phenylacetamide
CID 13390917
1,3,3-triethoxypropylbenzene
CID 3754405
N-(2-ethoxypropyl)-3-methyl-2-phenylbutan-1-amine
CID 114011795
N-[[3-(difluoromethyl)phenyl]methyl]-2,2-diethoxyethanamine
CID 115526613
2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78910443
N'-(2,2-diphenylethyl)-N-(3-ethoxypropyl)ethane-1,2-diamine
CID 10381752
2,2-diethoxy-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 81094380
N-butyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine
CID 23394686
(1R)-4,4-diethoxy-1-phenylbutan-1-ol
CID 102265483

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-2,2-diphenylethanamine?
The IUPAC name of N-(2,2-diethoxyethyl)-2,2-diphenylethanamine (CID 70269046) is N-(2,2-diethoxyethyl)-2,2-diphenylethanamine.
What is the SMILES notation for N-(2,2-diethoxyethyl)-2,2-diphenylethanamine?
The canonical SMILES for N-(2,2-diethoxyethyl)-2,2-diphenylethanamine is CCOC(CNCC(c1ccccc1)c1ccccc1)OCC.CCOC(CNCC(c1ccccc1)c1ccccc1)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-2,2-diphenylethanamine?
The InChIKey is LDQASTWNNXOKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H27NO2/c2*1-3-22-20(23-4-2)16-21-15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h2*5-14,19-21H,3-4,15-16H2,1-2H3.
What are the key properties of N-(2,2-diethoxyethyl)-2,2-diphenylethanamine?
N-(2,2-diethoxyethyl)-2,2-diphenylethanamine has a molecular weight of 626.88 g/mol, XLogP of 7.61, 20 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-2,2-diphenylethanamine is sourced from PubChem (CID 70269046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).