4-(5-methylfuran-2-yl)aniline;hydrochloride

C11H12ClNO — CID 2859134

IUPAC4-(5-methylfuran-2-yl)aniline;hydrochloride
SMILESCc1ccc(-c2ccc(N)cc2)o1.Cl
InChIInChI=1S/C11H11NO.ClH/c1-8-2-7-11(13-8)9-3-5-10(12)6-4-9;/h2-7H,12H2,1H3;1H
InChIKeyNGHXMMAWOQGJBC-UHFFFAOYSA-N
MW209.68 g/mol
LogP3.26
Rot. Bonds1

About 4-(5-methylfuran-2-yl)aniline;hydrochloride

4-(5-methylfuran-2-yl)aniline;hydrochloride (PubChem CID 2859134) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 4-(5-methylfuran-2-yl)aniline;hydrochloride.

Molecular Properties

Compound Name4-(5-methylfuran-2-yl)aniline;hydrochloride
PubChem CID2859134
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name4-(5-methylfuran-2-yl)aniline;hydrochloride
SMILESCc1ccc(-c2ccc(N)cc2)o1.Cl
InChIInChI=1S/C11H11NO.ClH/c1-8-2-7-11(13-8)9-3-5-10(12)6-4-9;/h2-7H,12H2,1H3;1H
InChIKeyNGHXMMAWOQGJBC-UHFFFAOYSA-N
XLogP3.26
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-5-methylfuran
CID 11171456
4-(5-methylfuran-2-yl)pyridine
CID 15721829
2-methyl-5-(4-nitrosophenyl)furan
CID 142882461
1-[4-(5-methylfuran-2-yl)phenyl]ethanone
CID 5167325
4-[5-(5-methylfuran-2-yl)furan-2-yl]benzonitrile
CID 71056646
ethane;2-methyl-5-(4-propylphenyl)furan
CID 169195789
3-amino-3-[4-(5-methylfuran-2-yl)phenyl]propan-1-ol
CID 170875213
4-(4-aminophenyl)aniline;tetrahydrochloride
CID 68733336
methyl 4-(5-methylfuran-2-yl)benzoate
CID 5219873
4-[2-[5-(4-aminophenyl)furan-2-yl]ethenyl]aniline
CID 154398154
(E)-3-[4-(5-methylfuran-2-yl)phenyl]prop-2-enoic acid
CID 170872382
5-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-4-amine
CID 42873908

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylfuran-2-yl)aniline;hydrochloride?
The IUPAC name of 4-(5-methylfuran-2-yl)aniline;hydrochloride (CID 2859134) is 4-(5-methylfuran-2-yl)aniline;hydrochloride.
What is the SMILES notation for 4-(5-methylfuran-2-yl)aniline;hydrochloride?
The canonical SMILES for 4-(5-methylfuran-2-yl)aniline;hydrochloride is Cc1ccc(-c2ccc(N)cc2)o1.Cl.
What is the InChIKey of 4-(5-methylfuran-2-yl)aniline;hydrochloride?
The InChIKey is NGHXMMAWOQGJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO.ClH/c1-8-2-7-11(13-8)9-3-5-10(12)6-4-9;/h2-7H,12H2,1H3;1H.
What are the key properties of 4-(5-methylfuran-2-yl)aniline;hydrochloride?
4-(5-methylfuran-2-yl)aniline;hydrochloride has a molecular weight of 209.68 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylfuran-2-yl)aniline;hydrochloride is sourced from PubChem (CID 2859134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).