1-(4-bromo-2,5-dimethoxyphenyl)-N-methyl-2-propylpentan-1-amine

C17H28BrNO2 — CID 105056755

IUPAC1-(4-bromo-2,5-dimethoxyphenyl)-N-methyl-2-propylpentan-1-amine
SMILESCCCC(CCC)C(NC)c1cc(OC)c(Br)cc1OC
InChIInChI=1S/C17H28BrNO2/c1-6-8-12(9-7-2)17(19-3)13-10-16(21-5)14(18)11-15(13)20-4/h10-12,17,19H,6-9H2,1-5H3
InChIKeyJTQCHLBWDFBRBS-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.94
Rot. Bonds9

About 1-(4-bromo-2,5-dimethoxyphenyl)-N-methyl-2-propylpentan-1-amine

1-(4-bromo-2,5-dimethoxyphenyl)-N-methyl-2-propylpentan-1-amine (PubChem CID 105056755) has the molecular formula C17H28BrNO2 and a molecular weight of 358.32 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dimethoxyphenyl)-N-methyl-2-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2,5-dimethoxyphenyl)-N-methyl-2-propylpentan-1-amine
PubChem CID105056755
Molecular FormulaC17H28BrNO2
Molecular Weight358.32 g/mol
Exact Mass357.13
IUPAC Name1-(4-bromo-2,5-dimethoxyphenyl)-N-methyl-2-propylpentan-1-amine
SMILESCCCC(CCC)C(NC)c1cc(OC)c(Br)cc1OC
InChIInChI=1S/C17H28BrNO2/c1-6-8-12(9-7-2)17(19-3)13-10-16(21-5)14(18)11-15(13)20-4/h10-12,17,19H,6-9H2,1-5H3
InChIKeyJTQCHLBWDFBRBS-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-(2-methoxyphenyl)-N-methyl-2-propylpentan-1-amine
CID 115792570
1-(5-bromo-2-methoxy-4-methylphenyl)-N,2-dimethylpentan-1-amine
CID 65438768
1-bromo-4-(1-bromo-2-ethylbutyl)-2,5-dimethoxybenzene
CID 105057365
(1R,2S)-1-amino-1-(4-bromo-2,5-dimethoxyphenyl)pentan-2-ol;hydrochloride
CID 171265473
(1S,2R)-1-amino-1-(4-bromo-2,5-dimethoxyphenyl)pentan-2-ol;hydrochloride
CID 171271146
1-(4-bromo-2,5-dimethoxyphenyl)-N,3-dimethylpentan-1-amine
CID 105056702
1-bromo-4-(1-chlorohexyl)-2,5-dimethoxybenzene
CID 105057265
2-(2,5-dibromo-4-methoxyphenoxy)-N-methylpentan-1-amine
CID 83046199
1-(4-bromo-2,5-dimethoxyphenyl)-2-ethylhexan-1-ol
CID 105057112
1-(4-bromo-2,5-dimethoxyphenyl)-N-propylhexan-1-amine
CID 105056855
1-bromo-4-(1-chloro-2-methylhexyl)-2,5-dimethoxybenzene
CID 114246943
1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 105056762

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)-N-methyl-2-propylpentan-1-amine?
The IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)-N-methyl-2-propylpentan-1-amine (CID 105056755) is 1-(4-bromo-2,5-dimethoxyphenyl)-N-methyl-2-propylpentan-1-amine.
What is the SMILES notation for 1-(4-bromo-2,5-dimethoxyphenyl)-N-methyl-2-propylpentan-1-amine?
The canonical SMILES for 1-(4-bromo-2,5-dimethoxyphenyl)-N-methyl-2-propylpentan-1-amine is CCCC(CCC)C(NC)c1cc(OC)c(Br)cc1OC.
What is the InChIKey of 1-(4-bromo-2,5-dimethoxyphenyl)-N-methyl-2-propylpentan-1-amine?
The InChIKey is JTQCHLBWDFBRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO2/c1-6-8-12(9-7-2)17(19-3)13-10-16(21-5)14(18)11-15(13)20-4/h10-12,17,19H,6-9H2,1-5H3.
What are the key properties of 1-(4-bromo-2,5-dimethoxyphenyl)-N-methyl-2-propylpentan-1-amine?
1-(4-bromo-2,5-dimethoxyphenyl)-N-methyl-2-propylpentan-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-(4-bromo-2,5-dimethoxyphenyl)-N-methyl-2-propylpentan-1-amine is sourced from PubChem (CID 105056755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).