4-(2-aminoethyl)-2-methoxyaniline;dihydrochloride

C9H16Cl2N2O — CID 122360118

IUPAC4-(2-aminoethyl)-2-methoxyaniline;dihydrochloride
SMILESCOc1cc(CCN)ccc1N.Cl.Cl
InChIInChI=1S/C9H14N2O.2ClH/c1-12-9-6-7(4-5-10)2-3-8(9)11;;/h2-3,6H,4-5,10-11H2,1H3;2*1H
InChIKeyZIVMVNJMWWLXON-UHFFFAOYSA-N
MW239.15 g/mol
LogP1.62
Rot. Bonds3

About 4-(2-aminoethyl)-2-methoxyaniline;dihydrochloride

4-(2-aminoethyl)-2-methoxyaniline;dihydrochloride (PubChem CID 122360118) has the molecular formula C9H16Cl2N2O and a molecular weight of 239.15 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-methoxyaniline;dihydrochloride.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-methoxyaniline;dihydrochloride
PubChem CID122360118
Molecular FormulaC9H16Cl2N2O
Molecular Weight239.15 g/mol
Exact Mass238.06
IUPAC Name4-(2-aminoethyl)-2-methoxyaniline;dihydrochloride
SMILESCOc1cc(CCN)ccc1N.Cl.Cl
InChIInChI=1S/C9H14N2O.2ClH/c1-12-9-6-7(4-5-10)2-3-8(9)11;;/h2-3,6H,4-5,10-11H2,1H3;2*1H
InChIKeyZIVMVNJMWWLXON-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
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

2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
4-(2-aminoethyl)-2-ethoxyaniline
CID 91191224
2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320
4-hexyl-2-methoxyaniline
CID 70551686
CID 90251753
CID 90251753
4-[2-(diethylamino)ethyl]-2-methoxyaniline
CID 89182820
4-[(4-amino-3-methoxyphenyl)methyl]-2,6-dimethoxyaniline
CID 22753068
5-(2-aminoethyl)-2-methoxyphenol chloride
CID 53313231
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
2-(4-amino-3-methoxyphenyl)ethyl-ethylphosphinic acid
CID 67256217
2-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
CID 55253717
(4-amino-3-methoxyphenyl)methanesulfinate
CID 89243185

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-methoxyaniline;dihydrochloride?
The IUPAC name of 4-(2-aminoethyl)-2-methoxyaniline;dihydrochloride (CID 122360118) is 4-(2-aminoethyl)-2-methoxyaniline;dihydrochloride.
What is the SMILES notation for 4-(2-aminoethyl)-2-methoxyaniline;dihydrochloride?
The canonical SMILES for 4-(2-aminoethyl)-2-methoxyaniline;dihydrochloride is COc1cc(CCN)ccc1N.Cl.Cl.
What is the InChIKey of 4-(2-aminoethyl)-2-methoxyaniline;dihydrochloride?
The InChIKey is ZIVMVNJMWWLXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.2ClH/c1-12-9-6-7(4-5-10)2-3-8(9)11;;/h2-3,6H,4-5,10-11H2,1H3;2*1H.
What are the key properties of 4-(2-aminoethyl)-2-methoxyaniline;dihydrochloride?
4-(2-aminoethyl)-2-methoxyaniline;dihydrochloride has a molecular weight of 239.15 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-methoxyaniline;dihydrochloride is sourced from PubChem (CID 122360118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).