1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride

C9H16Cl2N2O — CID 138109115

IUPAC1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
SMILESCOc1cccc(C(N)CN)c1.Cl.Cl
InChIInChI=1S/C9H14N2O.2ClH/c1-12-8-4-2-3-7(5-8)9(11)6-10;;/h2-5,9H,6,10-11H2,1H3;2*1H
InChIKeyDVGZBJGMTLDKFN-UHFFFAOYSA-N
MW239.15 g/mol
LogP1.50
Rot. Bonds3

About 1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride

1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride (PubChem CID 138109115) has the molecular formula C9H16Cl2N2O and a molecular weight of 239.15 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound Name1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
PubChem CID138109115
Molecular FormulaC9H16Cl2N2O
Molecular Weight239.15 g/mol
Exact Mass238.06
IUPAC Name1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
SMILESCOc1cccc(C(N)CN)c1.Cl.Cl
InChIInChI=1S/C9H14N2O.2ClH/c1-12-8-4-2-3-7(5-8)9(11)6-10;;/h2-5,9H,6,10-11H2,1H3;2*1H
InChIKeyDVGZBJGMTLDKFN-UHFFFAOYSA-N
XLogP1.50
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738
(1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171200212
(1R)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine;hydrochloride
CID 171218891
(1S)-1-(3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171219723
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
3-methoxy-1-(3-methoxyphenyl)-3-methylbutan-1-amine
CID 103024842
(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781
(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 66516554
3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine
CID 61392780
3-fluoro-2-(3-methoxyphenyl)propan-1-amine
CID 83817226
1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 70626122

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride?
The IUPAC name of 1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride (CID 138109115) is 1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for 1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for 1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride is COc1cccc(C(N)CN)c1.Cl.Cl.
What is the InChIKey of 1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride?
The InChIKey is DVGZBJGMTLDKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.2ClH/c1-12-8-4-2-3-7(5-8)9(11)6-10;;/h2-5,9H,6,10-11H2,1H3;2*1H.
What are the key properties of 1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride?
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride has a molecular weight of 239.15 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 138109115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).