1-(3-bromo-4-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine

C12H19BrN2O — CID 82307677

IUPAC1-(3-bromo-4-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCOc1ccc(C(C(C)N)N(C)C)cc1Br
InChIInChI=1S/C12H19BrN2O/c1-8(14)12(15(2)3)9-5-6-11(16-4)10(13)7-9/h5-8,12H,14H2,1-4H3
InChIKeyUCRBOKUCEOIMKU-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.41
Rot. Bonds4

About 1-(3-bromo-4-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine

1-(3-bromo-4-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 82307677) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID82307677
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name1-(3-bromo-4-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCOc1ccc(C(C(C)N)N(C)C)cc1Br
InChIInChI=1S/C12H19BrN2O/c1-8(14)12(15(2)3)9-5-6-11(16-4)10(13)7-9/h5-8,12H,14H2,1-4H3
InChIKeyUCRBOKUCEOIMKU-UHFFFAOYSA-N
XLogP2.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromo-4-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-bromo-4-methoxyphenyl)-3-(dimethylamino)-2-methylpropanoic acid
CID 116908055
(1S,2S)-1-(3-bromo-4-methoxyphenyl)propane-1,2-diamine
CID 131002328
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
3-amino-4-(3-bromo-4-methoxyphenyl)-4-(dimethylamino)butanoic acid
CID 116911882
1-(3-bromo-4-methoxyphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904801
bromo-(3-bromo-4-methoxyphenyl)methanamine
CID 116947586
(1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine
CID 28881228
1-(3-bromo-4-methoxyphenyl)-3-methylbutan-1-amine
CID 43131096
1-(3-bromo-4-methoxyphenyl)-N-methyl-N-propan-2-ylethane-1,2-diamine
CID 54905229
3-(3-bromo-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 83926098
1-(3-bromo-4-methoxyphenyl)ethylhydrazine
CID 82478801
(1R)-1-(3-bromo-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225474

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine (CID 82307677) is 1-(3-bromo-4-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine is COc1ccc(C(C(C)N)N(C)C)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is UCRBOKUCEOIMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-8(14)12(15(2)3)9-5-6-11(16-4)10(13)7-9/h5-8,12H,14H2,1-4H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine?
1-(3-bromo-4-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 287.20 g/mol, XLogP of 2.41, 4 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)-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 82307677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).