4-[4-[5-(aminomethyl)furan-2-yl]phenyl]benzenecarboximidamide

C18H17N3O — CID 143041341

IUPAC4-[4-[5-(aminomethyl)furan-2-yl]phenyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(CN)o3)cc2)cc1
InChIInChI=1S/C18H17N3O/c19-11-16-9-10-17(22-16)14-5-1-12(2-6-14)13-3-7-15(8-4-13)18(20)21/h1-10H,11,19H2,(H3,20,21)
InChIKeyKRXPYKYIJNJEER-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.36
Rot. Bonds4

About 4-[4-[5-(aminomethyl)furan-2-yl]phenyl]benzenecarboximidamide

4-[4-[5-(aminomethyl)furan-2-yl]phenyl]benzenecarboximidamide (PubChem CID 143041341) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[4-[5-(aminomethyl)furan-2-yl]phenyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[4-[5-(aminomethyl)furan-2-yl]phenyl]benzenecarboximidamide
PubChem CID143041341
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name4-[4-[5-(aminomethyl)furan-2-yl]phenyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(CN)o3)cc2)cc1
InChIInChI=1S/C18H17N3O/c19-11-16-9-10-17(22-16)14-5-1-12(2-6-14)13-3-7-15(8-4-13)18(20)21/h1-10H,11,19H2,(H3,20,21)
InChIKeyKRXPYKYIJNJEER-UHFFFAOYSA-N
XLogP3.36
TPSA89.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[5-(4-tert-butylphenyl)furan-2-yl]benzenecarboximidamide
CID 127026326
4-[5-(4-ethylphenyl)furan-2-yl]benzenecarboximidamide
CID 127026325
3-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochloride
CID 11153113
4-[5-(4-methoxyphenyl)furan-2-yl]benzenecarboximidamide
CID 10957290
5-[4-(5-carbamimidoylfuran-2-yl)phenyl]furan-2-carboximidamide
CID 23160957
5-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]furan-2-carboximidamide
CID 135949114
4-(furan-2-yl)benzenecarboximidamide
CID 11286893
4-(4-bromophenyl)benzenecarboximidamide
CID 15564128
benzenecarboximidamide;(4-phenylphenyl)methanamine
CID 145327292
4-(1,2-oxazol-5-yl)benzenecarboximidamide
CID 142630673
(5-pyridin-4-ylfuran-2-yl)methanamine
CID 72716677
ethane;4-phenylbenzenecarboximidamide
CID 91221015

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(aminomethyl)furan-2-yl]phenyl]benzenecarboximidamide?
The IUPAC name of 4-[4-[5-(aminomethyl)furan-2-yl]phenyl]benzenecarboximidamide (CID 143041341) is 4-[4-[5-(aminomethyl)furan-2-yl]phenyl]benzenecarboximidamide.
What is the SMILES notation for 4-[4-[5-(aminomethyl)furan-2-yl]phenyl]benzenecarboximidamide?
The canonical SMILES for 4-[4-[5-(aminomethyl)furan-2-yl]phenyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(CN)o3)cc2)cc1.
What is the InChIKey of 4-[4-[5-(aminomethyl)furan-2-yl]phenyl]benzenecarboximidamide?
The InChIKey is KRXPYKYIJNJEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c19-11-16-9-10-17(22-16)14-5-1-12(2-6-14)13-3-7-15(8-4-13)18(20)21/h1-10H,11,19H2,(H3,20,21).
What are the key properties of 4-[4-[5-(aminomethyl)furan-2-yl]phenyl]benzenecarboximidamide?
4-[4-[5-(aminomethyl)furan-2-yl]phenyl]benzenecarboximidamide has a molecular weight of 291.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(aminomethyl)furan-2-yl]phenyl]benzenecarboximidamide is sourced from PubChem (CID 143041341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).