(1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride

C9H14BrClN2O — CID 171224399

IUPAC(1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride
SMILESCOc1ccc(Br)c([C@@H](N)CN)c1.Cl
InChIInChI=1S/C9H13BrN2O.ClH/c1-13-6-2-3-8(10)7(4-6)9(12)5-11;/h2-4,9H,5,11-12H2,1H3;1H/t9-;/m0./s1
InChIKeyZFLMZNCOCWTGIB-FVGYRXGTSA-N
MW281.58 g/mol
LogP1.84
Rot. Bonds3

About (1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride

(1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride (PubChem CID 171224399) has the molecular formula C9H14BrClN2O and a molecular weight of 281.58 g/mol. Its IUPAC name is (1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride
PubChem CID171224399
Molecular FormulaC9H14BrClN2O
Molecular Weight281.58 g/mol
Exact Mass280.00
IUPAC Name(1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride
SMILESCOc1ccc(Br)c([C@@H](N)CN)c1.Cl
InChIInChI=1S/C9H13BrN2O.ClH/c1-13-6-2-3-8(10)7(4-6)9(12)5-11;/h2-4,9H,5,11-12H2,1H3;1H/t9-;/m0./s1
InChIKeyZFLMZNCOCWTGIB-FVGYRXGTSA-N
XLogP1.84
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.58
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride 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

(1S)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine
CID 130673057
(1R)-1-(2-bromo-5-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171204828
1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine
CID 126973068
(1S)-1-(2-bromo-5-methoxyphenyl)butane-1,4-diamine
CID 171224402
(1S)-1-(2-bromo-5-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171224414
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
1-(2-bromo-5-methoxyphenyl)-4-methylpentan-1-amine
CID 105126878
1-(2-bromo-5-methoxyphenyl)but-3-en-1-amine
CID 112693724
(1R)-1-(5-methoxy-2-methylphenyl)ethane-1,2-diamine
CID 130648897
ethyl (3S)-3-amino-3-(2-bromo-5-methoxyphenyl)propanoate;hydrochloride
CID 171224445
1-(2-bromo-5-methoxyphenyl)-4,4,4-trifluorobutan-1-amine
CID 105156340
2-(1,2-diaminoethyl)-4-methoxyphenol
CID 55282717

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of (1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride (CID 171224399) is (1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride is COc1ccc(Br)c([C@@H](N)CN)c1.Cl.
What is the InChIKey of (1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is ZFLMZNCOCWTGIB-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H13BrN2O.ClH/c1-13-6-2-3-8(10)7(4-6)9(12)5-11;/h2-4,9H,5,11-12H2,1H3;1H/t9-;/m0./s1.
What are the key properties of (1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride?
(1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 281.58 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 171224399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).