4-N-(furan-3-ylmethyl)benzene-1,4-diamine;hydrochloride

C11H13ClN2O — CID 22486431

IUPAC4-N-(furan-3-ylmethyl)benzene-1,4-diamine;hydrochloride
SMILESCl.Nc1ccc(NCc2ccoc2)cc1
InChIInChI=1S/C11H12N2O.ClH/c12-10-1-3-11(4-2-10)13-7-9-5-6-14-8-9;/h1-6,8,13H,7,12H2;1H
InChIKeyGPHMLLOPRPQWHI-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.90
Rot. Bonds3

About 4-N-(furan-3-ylmethyl)benzene-1,4-diamine;hydrochloride

4-N-(furan-3-ylmethyl)benzene-1,4-diamine;hydrochloride (PubChem CID 22486431) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 4-N-(furan-3-ylmethyl)benzene-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name4-N-(furan-3-ylmethyl)benzene-1,4-diamine;hydrochloride
PubChem CID22486431
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name4-N-(furan-3-ylmethyl)benzene-1,4-diamine;hydrochloride
SMILESCl.Nc1ccc(NCc2ccoc2)cc1
InChIInChI=1S/C11H12N2O.ClH/c12-10-1-3-11(4-2-10)13-7-9-5-6-14-8-9;/h1-6,8,13H,7,12H2;1H
InChIKeyGPHMLLOPRPQWHI-UHFFFAOYSA-N
XLogP2.90
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(furan-3-ylmethyl)aniline
CID 18938795
5-[(4-aminoanilino)methyl]benzene-1,3-diamine;hydrochloride
CID 23437151
N-(furan-3-ylmethyl)-3,4-dimethylaniline
CID 63204332
methyl N-[4-(furan-3-ylmethylamino)phenyl]carbamate
CID 55161652
4-(anilinomethyl)aniline;dihydrochloride
CID 517605
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
4-fluoro-N-(furan-3-ylmethyl)-3-methylaniline
CID 63204789
N-(furan-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine
CID 115881537
6-bromo-N-(furan-3-ylmethyl)naphthalen-2-amine
CID 81260316
4-bromo-3-fluoro-N-(furan-3-ylmethyl)aniline
CID 65435326
2,2-difluoro-N-(furan-3-ylmethyl)-1,3-benzodioxol-5-amine
CID 63204036
2,4,5-trichloro-N-(furan-3-ylmethyl)aniline
CID 63203660

Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-3-ylmethyl)benzene-1,4-diamine;hydrochloride?
The IUPAC name of 4-N-(furan-3-ylmethyl)benzene-1,4-diamine;hydrochloride (CID 22486431) is 4-N-(furan-3-ylmethyl)benzene-1,4-diamine;hydrochloride.
What is the SMILES notation for 4-N-(furan-3-ylmethyl)benzene-1,4-diamine;hydrochloride?
The canonical SMILES for 4-N-(furan-3-ylmethyl)benzene-1,4-diamine;hydrochloride is Cl.Nc1ccc(NCc2ccoc2)cc1.
What is the InChIKey of 4-N-(furan-3-ylmethyl)benzene-1,4-diamine;hydrochloride?
The InChIKey is GPHMLLOPRPQWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.ClH/c12-10-1-3-11(4-2-10)13-7-9-5-6-14-8-9;/h1-6,8,13H,7,12H2;1H.
What are the key properties of 4-N-(furan-3-ylmethyl)benzene-1,4-diamine;hydrochloride?
4-N-(furan-3-ylmethyl)benzene-1,4-diamine;hydrochloride has a molecular weight of 224.69 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(furan-3-ylmethyl)benzene-1,4-diamine;hydrochloride is sourced from PubChem (CID 22486431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).