1-(5-bromo-2-methoxy-4-methylphenyl)-3-methyl-N-propylpentan-1-amine

C17H28BrNO — CID 114874508

IUPAC1-(5-bromo-2-methoxy-4-methylphenyl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1cc(Br)c(C)cc1OC
InChIInChI=1S/C17H28BrNO/c1-6-8-19-16(9-12(3)7-2)14-11-15(18)13(4)10-17(14)20-5/h10-12,16,19H,6-9H2,1-5H3
InChIKeyJOCHPQWCHJGPKE-UHFFFAOYSA-N
MW342.32 g/mol
LogP5.24
Rot. Bonds8

About 1-(5-bromo-2-methoxy-4-methylphenyl)-3-methyl-N-propylpentan-1-amine

1-(5-bromo-2-methoxy-4-methylphenyl)-3-methyl-N-propylpentan-1-amine (PubChem CID 114874508) has the molecular formula C17H28BrNO and a molecular weight of 342.32 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxy-4-methylphenyl)-3-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxy-4-methylphenyl)-3-methyl-N-propylpentan-1-amine
PubChem CID114874508
Molecular FormulaC17H28BrNO
Molecular Weight342.32 g/mol
Exact Mass341.14
IUPAC Name1-(5-bromo-2-methoxy-4-methylphenyl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1cc(Br)c(C)cc1OC
InChIInChI=1S/C17H28BrNO/c1-6-8-19-16(9-12(3)7-2)14-11-15(18)13(4)10-17(14)20-5/h10-12,16,19H,6-9H2,1-5H3
InChIKeyJOCHPQWCHJGPKE-UHFFFAOYSA-N
XLogP5.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.32
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methoxy-4-methylphenyl)-N-propylpropan-1-amine
CID 65433156
1-(4-bromo-2,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine
CID 105056859
1-(2-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874372
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
1-(4-bromo-2,5-dimethoxyphenyl)-N,3-dimethylpentan-1-amine
CID 105056702
1-(4-bromo-3,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114330805
1-(5-bromo-2-methoxy-4-methylphenyl)-N-ethylheptan-1-amine
CID 114752580
4-methoxy-1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-1-amine
CID 105144070
1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylhexan-1-amine
CID 65433149
1-(5-bromo-4-methylthiophen-2-yl)-3-methyl-N-propylpentan-1-amine
CID 114874529
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-methylpentan-1-amine
CID 114874388

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)-3-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)-3-methyl-N-propylpentan-1-amine (CID 114874508) is 1-(5-bromo-2-methoxy-4-methylphenyl)-3-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-methoxy-4-methylphenyl)-3-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(5-bromo-2-methoxy-4-methylphenyl)-3-methyl-N-propylpentan-1-amine is CCCNC(CC(C)CC)c1cc(Br)c(C)cc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxy-4-methylphenyl)-3-methyl-N-propylpentan-1-amine?
The InChIKey is JOCHPQWCHJGPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO/c1-6-8-19-16(9-12(3)7-2)14-11-15(18)13(4)10-17(14)20-5/h10-12,16,19H,6-9H2,1-5H3.
What are the key properties of 1-(5-bromo-2-methoxy-4-methylphenyl)-3-methyl-N-propylpentan-1-amine?
1-(5-bromo-2-methoxy-4-methylphenyl)-3-methyl-N-propylpentan-1-amine has a molecular weight of 342.32 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxy-4-methylphenyl)-3-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 114874508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).