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

C16H26BrNO2 — CID 43491693

IUPAC1-(2-bromo-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine
SMILESCCCCCC(NCC)c1cc(OC)c(OC)cc1Br
InChIInChI=1S/C16H26BrNO2/c1-5-7-8-9-14(18-6-2)12-10-15(19-3)16(20-4)11-13(12)17/h10-11,14,18H,5-9H2,1-4H3
InChIKeyBHQGPMOYPBAYJV-UHFFFAOYSA-N
MW344.29 g/mol
LogP4.70
Rot. Bonds9

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

1-(2-bromo-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine (PubChem CID 43491693) has the molecular formula C16H26BrNO2 and a molecular weight of 344.29 g/mol. Its IUPAC name is 1-(2-bromo-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine
PubChem CID43491693
Molecular FormulaC16H26BrNO2
Molecular Weight344.29 g/mol
Exact Mass343.11
IUPAC Name1-(2-bromo-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine
SMILESCCCCCC(NCC)c1cc(OC)c(OC)cc1Br
InChIInChI=1S/C16H26BrNO2/c1-5-7-8-9-14(18-6-2)12-10-15(19-3)16(20-4)11-13(12)17/h10-11,14,18H,5-9H2,1-4H3
InChIKeyBHQGPMOYPBAYJV-UHFFFAOYSA-N
XLogP4.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2-methoxy-4-methylphenyl)-N-ethylheptan-1-amine
CID 114752580
1-(4-bromo-2,5-dimethoxyphenyl)-N-propylhexan-1-amine
CID 105056855
1-bromo-2-(1-bromohexyl)-4,5-dimethoxybenzene
CID 63440644
1-(2,5-dibromo-4-methylphenyl)-N-ethylheptan-1-amine
CID 114752640
1-(2,5-dibromo-4-methylphenyl)-N-ethylnonan-1-amine
CID 81474155
1-(2,4-dibromophenyl)-N-ethylnonan-1-amine
CID 107945403
1-(2,5-dibromo-4-methylphenyl)-N-ethylpentan-1-amine
CID 81474259
1-(2-bromo-4,5-dimethoxyphenyl)-2-cyclobutyl-N-ethylethanamine
CID 103162910
1-(2-bromo-4,5-dimethoxyphenyl)-N-propylethane-1,2-diamine
CID 62066577
1-bromo-4-(1-chlorohexyl)-2,5-dimethoxybenzene
CID 105057265
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine
CID 106682491
1-bromo-2-(1-bromohexyl)-4,5-diethoxybenzene
CID 63441595

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine?
The IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine (CID 43491693) is 1-(2-bromo-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine.
What is the SMILES notation for 1-(2-bromo-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine?
The canonical SMILES for 1-(2-bromo-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine is CCCCCC(NCC)c1cc(OC)c(OC)cc1Br.
What is the InChIKey of 1-(2-bromo-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine?
The InChIKey is BHQGPMOYPBAYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO2/c1-5-7-8-9-14(18-6-2)12-10-15(19-3)16(20-4)11-13(12)17/h10-11,14,18H,5-9H2,1-4H3.
What are the key properties of 1-(2-bromo-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine?
1-(2-bromo-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine has a molecular weight of 344.29 g/mol, XLogP of 4.70, 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-dimethoxyphenyl)-N-ethylhexan-1-amine is sourced from PubChem (CID 43491693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).