1-(4-bromo-2,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine

C17H28BrNO2 — CID 105056859

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

About 1-(4-bromo-2,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine

1-(4-bromo-2,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine (PubChem CID 105056859) has the molecular formula C17H28BrNO2 and a molecular weight of 358.32 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine
PubChem CID105056859
Molecular FormulaC17H28BrNO2
Molecular Weight358.32 g/mol
Exact Mass357.13
IUPAC Name1-(4-bromo-2,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1cc(OC)c(Br)cc1OC
InChIInChI=1S/C17H28BrNO2/c1-6-8-19-15(9-12(3)7-2)13-10-17(21-5)14(18)11-16(13)20-4/h10-12,15,19H,6-9H2,1-5H3
InChIKeyWGBVCDLDZNVRCX-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-(5-bromo-2-methoxy-4-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874508
1-(4-bromo-2,5-dimethoxyphenyl)-N,3-dimethylpentan-1-amine
CID 105056702
1-(2-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874372
1-(4-bromo-2,5-dimethoxyphenyl)-N-propylhexan-1-amine
CID 105056855
1-(5-bromo-2-methoxy-4-methylphenyl)-N-propylpropan-1-amine
CID 65433156
1-(2-bromo-4,5-dimethoxyphenyl)-N-propylethane-1,2-diamine
CID 62066577
1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 115846083
1-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874585
4-methoxy-1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-1-amine
CID 105144070
N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 55030359
3-methyl-N-propyl-1-(2,4,5-trifluorophenyl)pentan-1-amine
CID 103302896
1-(4-bromo-2,5-dimethoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 105056823

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine (CID 105056859) is 1-(4-bromo-2,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(4-bromo-2,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(4-bromo-2,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine is CCCNC(CC(C)CC)c1cc(OC)c(Br)cc1OC.
What is the InChIKey of 1-(4-bromo-2,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine?
The InChIKey is WGBVCDLDZNVRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO2/c1-6-8-19-15(9-12(3)7-2)13-10-17(21-5)14(18)11-16(13)20-4/h10-12,15,19H,6-9H2,1-5H3.
What are the key properties of 1-(4-bromo-2,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine?
1-(4-bromo-2,5-dimethoxyphenyl)-3-methyl-N-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)-3-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 105056859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).