1-(3-bromo-4,5-dimethoxyphenyl)ethane-1,2-diamine

C10H15BrN2O2 — CID 170894695

IUPAC1-(3-bromo-4,5-dimethoxyphenyl)ethane-1,2-diamine
SMILESCOc1cc(C(N)CN)cc(Br)c1OC
InChIInChI=1S/C10H15BrN2O2/c1-14-9-4-6(8(13)5-12)3-7(11)10(9)15-2/h3-4,8H,5,12-13H2,1-2H3
InChIKeyLFKXAOVGTSRHJU-UHFFFAOYSA-N
MW275.15 g/mol
LogP1.42
Rot. Bonds4

About 1-(3-bromo-4,5-dimethoxyphenyl)ethane-1,2-diamine

1-(3-bromo-4,5-dimethoxyphenyl)ethane-1,2-diamine (PubChem CID 170894695) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 1-(3-bromo-4,5-dimethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromo-4,5-dimethoxyphenyl)ethane-1,2-diamine
PubChem CID170894695
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name1-(3-bromo-4,5-dimethoxyphenyl)ethane-1,2-diamine
SMILESCOc1cc(C(N)CN)cc(Br)c1OC
InChIInChI=1S/C10H15BrN2O2/c1-14-9-4-6(8(13)5-12)3-7(11)10(9)15-2/h3-4,8H,5,12-13H2,1-2H3
InChIKeyLFKXAOVGTSRHJU-UHFFFAOYSA-N
XLogP1.42
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171199595
3-amino-3-(3-bromo-4,5-dimethoxyphenyl)propanoate
CID 22608489
(2R)-2-amino-2-(3,5-dibromo-4-methoxyphenyl)ethanol
CID 66516252
(1R)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171199597
(1R)-2-fluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 28820340
(1S)-1-(6-bromo-3,4-dimethoxy-2-nitrophenyl)ethane-1,2-diamine
CID 165352097
1-(3,4,5-trimethoxyphenyl)butane-1,3-diamine
CID 116933323
(1R)-1-(5-chloro-2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 66518018
2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-amine
CID 117483716
3-(3-bromo-4,5-dimethoxyphenyl)butanal
CID 117462993
(1S)-3,3-difluoro-1-(3,4,5-trimethoxyphenyl)propan-1-amine
CID 171312849
(1S)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine
CID 171219160

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4,5-dimethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-bromo-4,5-dimethoxyphenyl)ethane-1,2-diamine (CID 170894695) is 1-(3-bromo-4,5-dimethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromo-4,5-dimethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-bromo-4,5-dimethoxyphenyl)ethane-1,2-diamine is COc1cc(C(N)CN)cc(Br)c1OC.
What is the InChIKey of 1-(3-bromo-4,5-dimethoxyphenyl)ethane-1,2-diamine?
The InChIKey is LFKXAOVGTSRHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-14-9-4-6(8(13)5-12)3-7(11)10(9)15-2/h3-4,8H,5,12-13H2,1-2H3.
What are the key properties of 1-(3-bromo-4,5-dimethoxyphenyl)ethane-1,2-diamine?
1-(3-bromo-4,5-dimethoxyphenyl)ethane-1,2-diamine has a molecular weight of 275.15 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4,5-dimethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 170894695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).