1-(2-bromo-4,5-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine

C17H28BrNO2 — CID 43497418

IUPAC1-(2-bromo-4,5-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc(OCC)c(OCC)cc1Br)C(C)C
InChIInChI=1S/C17H28BrNO2/c1-6-9-19-17(12(4)5)13-10-15(20-7-2)16(21-8-3)11-14(13)18/h10-12,17,19H,6-9H2,1-5H3
InChIKeyVLKOSLJECWONFP-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.94
Rot. Bonds9

About 1-(2-bromo-4,5-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine

1-(2-bromo-4,5-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine (PubChem CID 43497418) has the molecular formula C17H28BrNO2 and a molecular weight of 358.32 g/mol. Its IUPAC name is 1-(2-bromo-4,5-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-4,5-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine
PubChem CID43497418
Molecular FormulaC17H28BrNO2
Molecular Weight358.32 g/mol
Exact Mass357.13
IUPAC Name1-(2-bromo-4,5-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc(OCC)c(OCC)cc1Br)C(C)C
InChIInChI=1S/C17H28BrNO2/c1-6-9-19-17(12(4)5)13-10-15(20-7-2)16(21-8-3)11-14(13)18/h10-12,17,19H,6-9H2,1-5H3
InChIKeyVLKOSLJECWONFP-UHFFFAOYSA-N
XLogP4.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 43496074
1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-methyl-N-propylpropan-1-amine
CID 43497425
1-(2,5-dibromothiophen-3-yl)-2-methyl-N-propylpropan-1-amine
CID 43497851
(1R)-1-(2-bromo-4,5-diethoxyphenyl)propan-1-amine
CID 82759031
1-(4-bromo-5-chloro-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 105399130
1-bromo-2-(1-chloro-3-methylbutyl)-4,5-diethoxybenzene
CID 63432715
N-[(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethyl]ethanamine
CID 43492609
1-(5-bromo-2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43493527
1-(4-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 114906702
1-(3-bromo-4-ethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 104657719
1-bromo-2-(1-bromo-2,2-difluoroethyl)-4,5-diethoxybenzene
CID 103514520
1-(2-bromo-4,5-dimethoxyphenyl)-N-propylethane-1,2-diamine
CID 62066577

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 1-(2-bromo-4,5-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine (CID 43497418) is 1-(2-bromo-4,5-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2-bromo-4,5-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(2-bromo-4,5-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine is CCCNC(c1cc(OCC)c(OCC)cc1Br)C(C)C.
What is the InChIKey of 1-(2-bromo-4,5-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is VLKOSLJECWONFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO2/c1-6-9-19-17(12(4)5)13-10-15(20-7-2)16(21-8-3)11-14(13)18/h10-12,17,19H,6-9H2,1-5H3.
What are the key properties of 1-(2-bromo-4,5-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine?
1-(2-bromo-4,5-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine has a molecular weight of 358.32 g/mol, XLogP of 4.94, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,5-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 43497418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).