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

C15H24BrNO2 — CID 103523899

IUPAC3-(3-bromo-2,4-dimethoxyphenyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)Cc1ccc(OC)c(Br)c1OC
InChIInChI=1S/C15H24BrNO2/c1-5-8-17-10-11(2)9-12-6-7-13(18-3)14(16)15(12)19-4/h6-7,11,17H,5,8-10H2,1-4H3
InChIKeyRXFLGFLMIUOCAF-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.64
Rot. Bonds8

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

3-(3-bromo-2,4-dimethoxyphenyl)-2-methyl-N-propylpropan-1-amine (PubChem CID 103523899) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 3-(3-bromo-2,4-dimethoxyphenyl)-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-2,4-dimethoxyphenyl)-2-methyl-N-propylpropan-1-amine
PubChem CID103523899
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name3-(3-bromo-2,4-dimethoxyphenyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)Cc1ccc(OC)c(Br)c1OC
InChIInChI=1S/C15H24BrNO2/c1-5-8-17-10-11(2)9-12-6-7-13(18-3)14(16)15(12)19-4/h6-7,11,17H,5,8-10H2,1-4H3
InChIKeyRXFLGFLMIUOCAF-UHFFFAOYSA-N
XLogP3.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.64
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

N-[2-(3-bromo-2,4-dimethoxyphenyl)ethyl]propan-1-amine
CID 103523799
1-(3-bromo-2,4-dimethoxyphenyl)-2-(propylamino)ethanol
CID 103524083
3-(3-bromo-2,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 103524126
3-(4-bromophenyl)-2-methyl-N-propylpropan-1-amine
CID 62531086
4-(2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine
CID 64664350
3-(5-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 62529881
3-(2,5-dibromo-4-methoxyphenoxy)-2-methyl-N-propylpropan-1-amine
CID 79403153
1-(2-bromo-3,4-dimethoxyphenyl)propan-2-amine
CID 90237354
2-(3-bromo-2,4-dimethoxyphenyl)-4-(propylamino)butan-2-ol
CID 103524091
N-[1-(3-bromo-2,4-dimethoxyphenyl)-2-propoxyethyl]propan-1-amine
CID 103523326
N-[1-(3-bromo-2,4-dimethoxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 103524430
2-methyl-3-(2-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 102837813

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2,4-dimethoxyphenyl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 3-(3-bromo-2,4-dimethoxyphenyl)-2-methyl-N-propylpropan-1-amine (CID 103523899) is 3-(3-bromo-2,4-dimethoxyphenyl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(3-bromo-2,4-dimethoxyphenyl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(3-bromo-2,4-dimethoxyphenyl)-2-methyl-N-propylpropan-1-amine is CCCNCC(C)Cc1ccc(OC)c(Br)c1OC.
What is the InChIKey of 3-(3-bromo-2,4-dimethoxyphenyl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is RXFLGFLMIUOCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-5-8-17-10-11(2)9-12-6-7-13(18-3)14(16)15(12)19-4/h6-7,11,17H,5,8-10H2,1-4H3.
What are the key properties of 3-(3-bromo-2,4-dimethoxyphenyl)-2-methyl-N-propylpropan-1-amine?
3-(3-bromo-2,4-dimethoxyphenyl)-2-methyl-N-propylpropan-1-amine has a molecular weight of 330.27 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2,4-dimethoxyphenyl)-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 103523899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).