1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine

C9H13BrN2O — CID 126973068

IUPAC1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(N)CN)c(Br)c1
InChIInChI=1S/C9H13BrN2O/c1-13-6-2-3-7(8(10)4-6)9(12)5-11/h2-4,9H,5,11-12H2,1H3
InChIKeyDYRHPNKRYANIGU-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.42
Rot. Bonds3

About 1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine

1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine (PubChem CID 126973068) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine
PubChem CID126973068
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(N)CN)c(Br)c1
InChIInChI=1S/C9H13BrN2O/c1-13-6-2-3-7(8(10)4-6)9(12)5-11/h2-4,9H,5,11-12H2,1H3
InChIKeyDYRHPNKRYANIGU-UHFFFAOYSA-N
XLogP1.42
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine
CID 130673057
(1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171224399
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
(1R)-1-(5-methoxy-2-methylphenyl)ethane-1,2-diamine
CID 130648897
1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride
CID 122360281
2-(1,2-diaminoethyl)-4-methoxyphenol
CID 55282717
(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethane-1,2-diamine;hydrochloride
CID 171227707
1-(2-bromo-4-methoxyphenyl)-2-methylbutan-1-amine
CID 60786291
(2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950477
(1R)-1-(2-bromo-5-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171204828
1-(2-bromo-4-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63502718
2-amino-1-(2-bromo-4-methoxyphenyl)propan-1-ol
CID 82623845

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine (CID 126973068) is 1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine is COc1ccc(C(N)CN)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is DYRHPNKRYANIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-13-6-2-3-7(8(10)4-6)9(12)5-11/h2-4,9H,5,11-12H2,1H3.
What are the key properties of 1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine?
1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 245.12 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 126973068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).