1-(3,4-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine

C17H29NO2 — CID 43496074

IUPAC1-(3,4-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(OCC)c(OCC)c1)C(C)C
InChIInChI=1S/C17H29NO2/c1-6-11-18-17(13(4)5)14-9-10-15(19-7-2)16(12-14)20-8-3/h9-10,12-13,17-18H,6-8,11H2,1-5H3
InChIKeyHLRATMHMBPWPGI-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.18
Rot. Bonds9

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

1-(3,4-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine (PubChem CID 43496074) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine
PubChem CID43496074
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(3,4-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(OCC)c(OCC)c1)C(C)C
InChIInChI=1S/C17H29NO2/c1-6-11-18-17(13(4)5)14-9-10-15(19-7-2)16(12-14)20-8-3/h9-10,12-13,17-18H,6-8,11H2,1-5H3
InChIKeyHLRATMHMBPWPGI-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-(propylamino)propan-1-ol
CID 82315715
4-(3,4-diethoxyphenyl)-N-propylpentan-2-amine
CID 64718995
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]methanesulfonamide
CID 51263519
1-(2-bromo-4,5-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 43497418
1-(3,4-diethoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 79095490
1-(3,4-diethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
CID 119110968
2-amino-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]pentanamide
CID 119274983
1-(3,4-diethoxyphenyl)-N,2-dimethylpentan-1-amine
CID 43483715
1-(3,4-diethoxyphenyl)-2-ethoxy-N-ethylpropan-1-amine
CID 64535611
1-(3,4-diethoxyphenyl)-N-propylbut-3-en-1-amine
CID 116660997
N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine
CID 43108101
1-(3,4-diethoxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 116720003

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 1-(3,4-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine (CID 43496074) is 1-(3,4-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine is CCCNC(c1ccc(OCC)c(OCC)c1)C(C)C.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is HLRATMHMBPWPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-11-18-17(13(4)5)14-9-10-15(19-7-2)16(12-14)20-8-3/h9-10,12-13,17-18H,6-8,11H2,1-5H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine?
1-(3,4-diethoxyphenyl)-2-methyl-N-propylpropan-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)-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 43496074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).