4-methoxybenzene-1,3-diamine;dihydrochloride

C7H12Cl2N2O — CID 11975

IUPAC4-methoxybenzene-1,3-diamine;dihydrochloride
SMILESCOc1ccc(N)cc1N.Cl.Cl
InChIInChI=1S/C7H10N2O.2ClH/c1-10-7-3-2-5(8)4-6(7)9;;/h2-4H,8-9H2,1H3;2*1H
InChIKeyFNGHHDCBSVSOOI-UHFFFAOYSA-N
MW211.09 g/mol
LogP1.70
Rot. Bonds1

About 4-methoxybenzene-1,3-diamine;dihydrochloride

4-methoxybenzene-1,3-diamine;dihydrochloride (PubChem CID 11975) has the molecular formula C7H12Cl2N2O and a molecular weight of 211.09 g/mol. Its IUPAC name is 4-methoxybenzene-1,3-diamine;dihydrochloride.

Molecular Properties

Compound Name4-methoxybenzene-1,3-diamine;dihydrochloride
PubChem CID11975
Molecular FormulaC7H12Cl2N2O
Molecular Weight211.09 g/mol
Exact Mass210.03
IUPAC Name4-methoxybenzene-1,3-diamine;dihydrochloride
SMILESCOc1ccc(N)cc1N.Cl.Cl
InChIInChI=1S/C7H10N2O.2ClH/c1-10-7-3-2-5(8)4-6(7)9;;/h2-4H,8-9H2,1H3;2*1H
InChIKeyFNGHHDCBSVSOOI-UHFFFAOYSA-N
XLogP1.70
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

P-Anisidine
CID 7732
4-Ethoxyaniline
CID 9076
2,5-Diaminoanisole
CID 21379
2,4-Dinitroanisole
CID 8385
2-Methoxyaniline
CID 7000
2,4-Diaminophenol hydrochloride
CID 8715
1,3-Benzenediamine, 4-methoxy-, sulfate (1:1)
CID 38221
2,4-Diaminoanisole
CID 11976
o-Phenetidine
CID 7203
2,4-Dimethoxyaniline
CID 17652
4-Anisidine hydrochloride
CID 2734956
2-Methoxy-5-nitroaniline
CID 7447

Frequently Asked Questions

What is the IUPAC name of 4-methoxybenzene-1,3-diamine;dihydrochloride?
The IUPAC name of 4-methoxybenzene-1,3-diamine;dihydrochloride (CID 11975) is 4-methoxybenzene-1,3-diamine;dihydrochloride.
What is the SMILES notation for 4-methoxybenzene-1,3-diamine;dihydrochloride?
The canonical SMILES for 4-methoxybenzene-1,3-diamine;dihydrochloride is COc1ccc(N)cc1N.Cl.Cl.
What is the InChIKey of 4-methoxybenzene-1,3-diamine;dihydrochloride?
The InChIKey is FNGHHDCBSVSOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.2ClH/c1-10-7-3-2-5(8)4-6(7)9;;/h2-4H,8-9H2,1H3;2*1H.
What are the key properties of 4-methoxybenzene-1,3-diamine;dihydrochloride?
4-methoxybenzene-1,3-diamine;dihydrochloride has a molecular weight of 211.09 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybenzene-1,3-diamine;dihydrochloride is sourced from PubChem (CID 11975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).