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

C15H22BrNO2 — CID 116722235

IUPAC3-(3-bromo-4-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(OC)c(Br)c1)C(OC)C1CC1
InChIInChI=1S/C15H22BrNO2/c1-17-13(15(19-3)11-5-6-11)9-10-4-7-14(18-2)12(16)8-10/h4,7-8,11,13,15,17H,5-6,9H2,1-3H3
InChIKeyUJHHUMYZQROLJH-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.01
Rot. Bonds7

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

3-(3-bromo-4-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine (PubChem CID 116722235) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine
PubChem CID116722235
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name3-(3-bromo-4-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(OC)c(Br)c1)C(OC)C1CC1
InChIInChI=1S/C15H22BrNO2/c1-17-13(15(19-3)11-5-6-11)9-10-4-7-14(18-2)12(16)8-10/h4,7-8,11,13,15,17H,5-6,9H2,1-3H3
InChIKeyUJHHUMYZQROLJH-UHFFFAOYSA-N
XLogP3.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-4-methoxyphenyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516448
1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-methylpentan-2-amine
CID 116715439
1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-1-methoxy-N-methylpropan-2-amine
CID 116722108
[2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine
CID 105202342
3-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine
CID 116722110
3-(3-bromo-4-fluorophenyl)-1-cyclopropyl-N-ethyl-1-methoxypropan-2-amine
CID 116722487
1-cyclohexyl-3-(3,4-difluorophenyl)-1-methoxy-N-methylpropan-2-amine
CID 116771493
1-(3-bromo-4-methoxyphenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 116725554
2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanamine
CID 64986507
2-(3-bromo-4-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401348
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
[3-(4-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-yl]hydrazine
CID 105272881

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine (CID 116722235) is 3-(3-bromo-4-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine is CNC(Cc1ccc(OC)c(Br)c1)C(OC)C1CC1.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine?
The InChIKey is UJHHUMYZQROLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-17-13(15(19-3)11-5-6-11)9-10-4-7-14(18-2)12(16)8-10/h4,7-8,11,13,15,17H,5-6,9H2,1-3H3.
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine?
3-(3-bromo-4-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine has a molecular weight of 328.25 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 116722235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).