2,2-diethoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]ethanamine

C17H29NO3 — CID 79537975

IUPAC2,2-diethoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]ethanamine
SMILESCCOC(CNC(C)c1ccc(OC(C)C)cc1)OCC
InChIInChI=1S/C17H29NO3/c1-6-19-17(20-7-2)12-18-14(5)15-8-10-16(11-9-15)21-13(3)4/h8-11,13-14,17-18H,6-7,12H2,1-5H3
InChIKeyHTBPTVYHXQRCOW-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.52
Rot. Bonds10

About 2,2-diethoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]ethanamine

2,2-diethoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]ethanamine (PubChem CID 79537975) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2,2-diethoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]ethanamine
PubChem CID79537975
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2,2-diethoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]ethanamine
SMILESCCOC(CNC(C)c1ccc(OC(C)C)cc1)OCC
InChIInChI=1S/C17H29NO3/c1-6-19-17(20-7-2)12-18-14(5)15-8-10-16(11-9-15)21-13(3)4/h8-11,13-14,17-18H,6-7,12H2,1-5H3
InChIKeyHTBPTVYHXQRCOW-UHFFFAOYSA-N
XLogP3.52
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-methylpropyl)phenyl]ethyl]ethanamine
CID 79538272
1,1-difluoro-3-[1-(4-propan-2-yloxyphenyl)ethylamino]propan-2-ol
CID 103788003
2-propan-2-yl-N'-[1-(4-propan-2-yloxyphenyl)ethyl]propane-1,3-diamine
CID 107441417
N-[1-(3,4-dichlorophenyl)ethyl]-2,2-diethoxyethanamine
CID 79548546
N-[1-(4-propan-2-yloxyphenyl)ethyl]pentan-1-amine
CID 43102192
2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol
CID 43151137
4,4-dimethyl-1-[1-(4-propan-2-yloxyphenyl)ethylamino]pentan-2-ol
CID 103784440
(1R)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 30049099
3,3-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine
CID 55155806
2,2-diethoxy-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]ethanamine
CID 83075998
2-ethoxy-2-(4-propan-2-yloxyphenyl)ethanamine
CID 66072366

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]ethanamine?
The IUPAC name of 2,2-diethoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]ethanamine (CID 79537975) is 2,2-diethoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]ethanamine.
What is the SMILES notation for 2,2-diethoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]ethanamine?
The canonical SMILES for 2,2-diethoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]ethanamine is CCOC(CNC(C)c1ccc(OC(C)C)cc1)OCC.
What is the InChIKey of 2,2-diethoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]ethanamine?
The InChIKey is HTBPTVYHXQRCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-6-19-17(20-7-2)12-18-14(5)15-8-10-16(11-9-15)21-13(3)4/h8-11,13-14,17-18H,6-7,12H2,1-5H3.
What are the key properties of 2,2-diethoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]ethanamine?
2,2-diethoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]ethanamine has a molecular weight of 295.42 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]ethanamine is sourced from PubChem (CID 79537975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).