1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-propylbutan-2-amine

C15H24BrNO2 — CID 79616476

IUPAC1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-propylbutan-2-amine
SMILESCCCNC(Cc1ccc(OC)c(Br)c1)C(C)OC
InChIInChI=1S/C15H24BrNO2/c1-5-8-17-14(11(2)18-3)10-12-6-7-15(19-4)13(16)9-12/h6-7,9,11,14,17H,5,8,10H2,1-4H3
InChIKeyQTEXMGOOJSTTQE-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.40
Rot. Bonds8

About 1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-propylbutan-2-amine

1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-propylbutan-2-amine (PubChem CID 79616476) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-propylbutan-2-amine
PubChem CID79616476
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-propylbutan-2-amine
SMILESCCCNC(Cc1ccc(OC)c(Br)c1)C(C)OC
InChIInChI=1S/C15H24BrNO2/c1-5-8-17-14(11(2)18-3)10-12-6-7-15(19-4)13(16)9-12/h6-7,9,11,14,17H,5,8,10H2,1-4H3
InChIKeyQTEXMGOOJSTTQE-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-4-methyl-N-propylpentan-2-amine
CID 63412972
3-(3-bromo-4-methoxyphenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 115818094
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-propylbutan-2-amine
CID 64532602
2-bromo-4-(3-chloro-2-methylpropyl)-1-methoxybenzene
CID 66035628
N-[2-(3-bromo-4-methoxyphenyl)-1-cyclopentylethyl]propan-1-amine
CID 63417125
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-methylpentan-2-amine
CID 116715439
2-[(3-bromo-4-methoxyphenyl)methyl]-N-propylbutan-1-amine
CID 62531151
1-(3,4-dimethylphenyl)-N-ethyl-3-methoxybutan-2-amine
CID 79616585
[1-(3-bromo-4-methoxyphenyl)-3-ethylpentan-2-yl]hydrazine
CID 105290221
4-(3-bromo-4-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81018947
3-(3-bromo-4-methoxyphenyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516448

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-propylbutan-2-amine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-propylbutan-2-amine (CID 79616476) is 1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-propylbutan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-propylbutan-2-amine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-propylbutan-2-amine is CCCNC(Cc1ccc(OC)c(Br)c1)C(C)OC.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-propylbutan-2-amine?
The InChIKey is QTEXMGOOJSTTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-5-8-17-14(11(2)18-3)10-12-6-7-15(19-4)13(16)9-12/h6-7,9,11,14,17H,5,8,10H2,1-4H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-propylbutan-2-amine?
1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-propylbutan-2-amine has a molecular weight of 330.27 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-propylbutan-2-amine is sourced from PubChem (CID 79616476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).