2,2-diethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethanamine

C18H31NO2 — CID 79538272

IUPAC2,2-diethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethanamine
SMILESCCOC(CNC(C)c1ccc(CC(C)C)cc1)OCC
InChIInChI=1S/C18H31NO2/c1-6-20-18(21-7-2)13-19-15(5)17-10-8-16(9-11-17)12-14(3)4/h8-11,14-15,18-19H,6-7,12-13H2,1-5H3
InChIKeyWOSRXTUKSBKOHS-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.93
Rot. Bonds10

About 2,2-diethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethanamine

2,2-diethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethanamine (PubChem CID 79538272) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2,2-diethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethanamine
PubChem CID79538272
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2,2-diethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethanamine
SMILESCCOC(CNC(C)c1ccc(CC(C)C)cc1)OCC
InChIInChI=1S/C18H31NO2/c1-6-20-18(21-7-2)13-19-15(5)17-10-8-16(9-11-17)12-14(3)4/h8-11,14-15,18-19H,6-7,12-13H2,1-5H3
InChIKeyWOSRXTUKSBKOHS-UHFFFAOYSA-N
XLogP3.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
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

N-[1-(4-bromophenyl)ethyl]-2,2-diethoxyethanamine
CID 79548377
2,2-diethoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]ethanamine
CID 79537975
N-[1-(3,4-dichlorophenyl)ethyl]-2,2-diethoxyethanamine
CID 79548546
2-methyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanenitrile
CID 60647965
2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-methylsulfanylpropan-1-amine
CID 63964174
3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]hexan-1-ol
CID 106114426
2,2-diethoxy-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine
CID 83075998
2-ethoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 115724375
N-(2,2-diethoxyethyl)-2-methyl-1-phenylpropan-1-amine
CID 79548467
2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-ol
CID 63239146
N-[1-(4-butylphenyl)ethyl]-2,2-dimethoxyethanamine
CID 54922154
1-[4-(2-methylpropyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 54897141

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethanamine?
The IUPAC name of 2,2-diethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethanamine (CID 79538272) is 2,2-diethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethanamine.
What is the SMILES notation for 2,2-diethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethanamine?
The canonical SMILES for 2,2-diethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethanamine is CCOC(CNC(C)c1ccc(CC(C)C)cc1)OCC.
What is the InChIKey of 2,2-diethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethanamine?
The InChIKey is WOSRXTUKSBKOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-6-20-18(21-7-2)13-19-15(5)17-10-8-16(9-11-17)12-14(3)4/h8-11,14-15,18-19H,6-7,12-13H2,1-5H3.
What are the key properties of 2,2-diethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethanamine?
2,2-diethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethanamine has a molecular weight of 293.45 g/mol, XLogP of 3.93, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethanamine is sourced from PubChem (CID 79538272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).