1-(3,4-diethoxyphenyl)-N,2-dimethylpentan-1-amine

C17H29NO2 — CID 43483715

IUPAC1-(3,4-diethoxyphenyl)-N,2-dimethylpentan-1-amine
SMILESCCCC(C)C(NC)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C17H29NO2/c1-6-9-13(4)17(18-5)14-10-11-15(19-7-2)16(12-14)20-8-3/h10-13,17-18H,6-9H2,1-5H3
InChIKeyILNQEYHIPDVXON-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.18
Rot. Bonds9

About 1-(3,4-diethoxyphenyl)-N,2-dimethylpentan-1-amine

1-(3,4-diethoxyphenyl)-N,2-dimethylpentan-1-amine (PubChem CID 43483715) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-N,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-N,2-dimethylpentan-1-amine
PubChem CID43483715
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(3,4-diethoxyphenyl)-N,2-dimethylpentan-1-amine
SMILESCCCC(C)C(NC)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C17H29NO2/c1-6-9-13(4)17(18-5)14-10-11-15(19-7-2)16(12-14)20-8-3/h10-13,17-18H,6-9H2,1-5H3
InChIKeyILNQEYHIPDVXON-UHFFFAOYSA-N
XLogP4.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-diethoxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 116720003
1-(2-ethoxy-5-methylphenyl)-N,2-dimethylpentan-1-amine
CID 62303499
1-(3,4-diethoxyphenyl)-N-methyl-2-methylsulfonylpropan-1-amine
CID 104518492
1-(3,4-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 43496074
1-(3,4-diethoxyphenyl)-2-ethoxy-N-ethylpropan-1-amine
CID 64535611
1-(3-chloro-4-ethoxyphenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948719
N,2-dimethyl-1-naphthalen-2-ylpentan-1-amine
CID 115850950
1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylpentan-1-amine
CID 43485099
2-amino-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]pentanamide
CID 119274983
N,2-dimethyl-1-(3-methylphenyl)pentan-1-amine
CID 115789704
1-(4-ethoxy-3-methylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948083
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]methanesulfonamide
CID 51263519

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-N,2-dimethylpentan-1-amine?
The IUPAC name of 1-(3,4-diethoxyphenyl)-N,2-dimethylpentan-1-amine (CID 43483715) is 1-(3,4-diethoxyphenyl)-N,2-dimethylpentan-1-amine.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-N,2-dimethylpentan-1-amine?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-N,2-dimethylpentan-1-amine is CCCC(C)C(NC)c1ccc(OCC)c(OCC)c1.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-N,2-dimethylpentan-1-amine?
The InChIKey is ILNQEYHIPDVXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-9-13(4)17(18-5)14-10-11-15(19-7-2)16(12-14)20-8-3/h10-13,17-18H,6-9H2,1-5H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-N,2-dimethylpentan-1-amine?
1-(3,4-diethoxyphenyl)-N,2-dimethylpentan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-N,2-dimethylpentan-1-amine is sourced from PubChem (CID 43483715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).