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

C15H24BrNO2 — CID 105056702

IUPAC1-(4-bromo-2,5-dimethoxyphenyl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)CC(NC)c1cc(OC)c(Br)cc1OC
InChIInChI=1S/C15H24BrNO2/c1-6-10(2)7-13(17-3)11-8-15(19-5)12(16)9-14(11)18-4/h8-10,13,17H,6-7H2,1-5H3
InChIKeyMCXOWBKXTGWMOG-UHFFFAOYSA-N
MW330.27 g/mol
LogP4.16
Rot. Bonds7

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

1-(4-bromo-2,5-dimethoxyphenyl)-N,3-dimethylpentan-1-amine (PubChem CID 105056702) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dimethoxyphenyl)-N,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2,5-dimethoxyphenyl)-N,3-dimethylpentan-1-amine
PubChem CID105056702
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name1-(4-bromo-2,5-dimethoxyphenyl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)CC(NC)c1cc(OC)c(Br)cc1OC
InChIInChI=1S/C15H24BrNO2/c1-6-10(2)7-13(17-3)11-8-15(19-5)12(16)9-14(11)18-4/h8-10,13,17H,6-7H2,1-5H3
InChIKeyMCXOWBKXTGWMOG-UHFFFAOYSA-N
XLogP4.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine
CID 105056859
1-(5-bromo-2-methoxy-4-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874508
N,3-dimethyl-1-(2,4,6-trimethoxyphenyl)pentan-1-amine
CID 114874234
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 103394656
(1R)-1-(4-bromo-2,5-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171214707
1-(4-bromo-2,5-dimethoxyphenyl)-N-methyl-2-propylpentan-1-amine
CID 105056755
[1-(3-bromo-4-methoxyphenyl)-3-methylpentyl]hydrazine
CID 105298627
1-bromo-4-(1-bromo-2-ethylbutyl)-2,5-dimethoxybenzene
CID 105057365
1-(4-bromo-2,5-dimethoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 105056823
1-(2-bromo-4,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
CID 62065826
1-(3-methoxythiophen-2-yl)-N,3-dimethylpentan-1-amine
CID 115846200
1-bromo-4-[1-(4-bromo-2,5-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethoxybenzene
CID 71326987

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)-N,3-dimethylpentan-1-amine?
The IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)-N,3-dimethylpentan-1-amine (CID 105056702) is 1-(4-bromo-2,5-dimethoxyphenyl)-N,3-dimethylpentan-1-amine.
What is the SMILES notation for 1-(4-bromo-2,5-dimethoxyphenyl)-N,3-dimethylpentan-1-amine?
The canonical SMILES for 1-(4-bromo-2,5-dimethoxyphenyl)-N,3-dimethylpentan-1-amine is CCC(C)CC(NC)c1cc(OC)c(Br)cc1OC.
What is the InChIKey of 1-(4-bromo-2,5-dimethoxyphenyl)-N,3-dimethylpentan-1-amine?
The InChIKey is MCXOWBKXTGWMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-6-10(2)7-13(17-3)11-8-15(19-5)12(16)9-14(11)18-4/h8-10,13,17H,6-7H2,1-5H3.
What are the key properties of 1-(4-bromo-2,5-dimethoxyphenyl)-N,3-dimethylpentan-1-amine?
1-(4-bromo-2,5-dimethoxyphenyl)-N,3-dimethylpentan-1-amine has a molecular weight of 330.27 g/mol, XLogP of 4.16, 7 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,3-dimethylpentan-1-amine is sourced from PubChem (CID 105056702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).