3-(3-bromo-2,4-dimethoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine

C15H22BrNO2 — CID 103523891

IUPAC3-(3-bromo-2,4-dimethoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine
SMILESCNC(CCc1ccc(OC)c(Br)c1OC)C1CC1
InChIInChI=1S/C15H22BrNO2/c1-17-12(10-4-5-10)8-6-11-7-9-13(18-2)14(16)15(11)19-3/h7,9-10,12,17H,4-6,8H2,1-3H3
InChIKeyOYCMWOOZVRBFJZ-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.40
Rot. Bonds7

About 3-(3-bromo-2,4-dimethoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine

3-(3-bromo-2,4-dimethoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine (PubChem CID 103523891) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 3-(3-bromo-2,4-dimethoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-2,4-dimethoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine
PubChem CID103523891
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name3-(3-bromo-2,4-dimethoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine
SMILESCNC(CCc1ccc(OC)c(Br)c1OC)C1CC1
InChIInChI=1S/C15H22BrNO2/c1-17-12(10-4-5-10)8-6-11-7-9-13(18-2)14(16)15(11)19-3/h7,9-10,12,17H,4-6,8H2,1-3H3
InChIKeyOYCMWOOZVRBFJZ-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine
CID 63354851
N-[2-(3-bromo-2,4-dimethoxyphenyl)ethyl]propan-1-amine
CID 103523799
1-cyclopropyl-N-ethyl-3-(2-methoxyphenyl)propan-1-amine
CID 63354961
2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine
CID 65413976
1-cyclohexyl-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 65445325
[(3-bromo-2,4-dimethoxyphenyl)-cyclohexylmethyl]hydrazine
CID 103524580
1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-1-amine
CID 113390146
1-(3-chloro-3-cyclopropylpropyl)-2-methoxy-3,4-dimethylbenzene
CID 103434392
N-[(3-bromo-2,4-dimethoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 103523411
1-[2-(3-bromo-2,4-dimethoxyphenyl)cycloheptyl]-N-methylmethanamine
CID 103524175
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 80610569
1-cyclobutyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 64986574

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2,4-dimethoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine?
The IUPAC name of 3-(3-bromo-2,4-dimethoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine (CID 103523891) is 3-(3-bromo-2,4-dimethoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine.
What is the SMILES notation for 3-(3-bromo-2,4-dimethoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine?
The canonical SMILES for 3-(3-bromo-2,4-dimethoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine is CNC(CCc1ccc(OC)c(Br)c1OC)C1CC1.
What is the InChIKey of 3-(3-bromo-2,4-dimethoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine?
The InChIKey is OYCMWOOZVRBFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-17-12(10-4-5-10)8-6-11-7-9-13(18-2)14(16)15(11)19-3/h7,9-10,12,17H,4-6,8H2,1-3H3.
What are the key properties of 3-(3-bromo-2,4-dimethoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine?
3-(3-bromo-2,4-dimethoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine has a molecular weight of 328.25 g/mol, XLogP of 3.40, 7 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)-1-cyclopropyl-N-methylpropan-1-amine is sourced from PubChem (CID 103523891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).