4-amino-3-[ethyl(furan-2-ylmethyl)amino]benzonitrile

C14H15N3O — CID 104711640

IUPAC4-amino-3-[ethyl(furan-2-ylmethyl)amino]benzonitrile
SMILESCCN(Cc1ccco1)c1cc(C#N)ccc1N
InChIInChI=1S/C14H15N3O/c1-2-17(10-12-4-3-7-18-12)14-8-11(9-15)5-6-13(14)16/h3-8H,2,10,16H2,1H3
InChIKeyDQBBBKKAVJEWHF-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.76
Rot. Bonds4

About 4-amino-3-[ethyl(furan-2-ylmethyl)amino]benzonitrile

4-amino-3-[ethyl(furan-2-ylmethyl)amino]benzonitrile (PubChem CID 104711640) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-amino-3-[ethyl(furan-2-ylmethyl)amino]benzonitrile.

Molecular Properties

Compound Name4-amino-3-[ethyl(furan-2-ylmethyl)amino]benzonitrile
PubChem CID104711640
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name4-amino-3-[ethyl(furan-2-ylmethyl)amino]benzonitrile
SMILESCCN(Cc1ccco1)c1cc(C#N)ccc1N
InChIInChI=1S/C14H15N3O/c1-2-17(10-12-4-3-7-18-12)14-8-11(9-15)5-6-13(14)16/h3-8H,2,10,16H2,1H3
InChIKeyDQBBBKKAVJEWHF-UHFFFAOYSA-N
XLogP2.76
TPSA66.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-[ethyl(furan-2-ylmethyl)amino]benzonitrile
CID 82796951
4-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile
CID 54934467
4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-methylbenzonitrile
CID 114481043
3-fluoro-4-[furan-2-ylmethyl(methyl)amino]benzonitrile
CID 43657349
4-amino-3-[butan-2-yl(ethyl)amino]benzonitrile
CID 104711503
3-amino-4-[ethyl(furan-2-ylmethyl)amino]benzoic acid
CID 61421271
4-amino-3-(furan-2-ylmethoxy)benzonitrile
CID 104712381
6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one
CID 115425285
2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine
CID 113333708
6-amino-7-[ethyl(furan-2-ylmethyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 61423702
4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzonitrile
CID 104711530
1-(4-cyanophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide
CID 43397003

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[ethyl(furan-2-ylmethyl)amino]benzonitrile?
The IUPAC name of 4-amino-3-[ethyl(furan-2-ylmethyl)amino]benzonitrile (CID 104711640) is 4-amino-3-[ethyl(furan-2-ylmethyl)amino]benzonitrile.
What is the SMILES notation for 4-amino-3-[ethyl(furan-2-ylmethyl)amino]benzonitrile?
The canonical SMILES for 4-amino-3-[ethyl(furan-2-ylmethyl)amino]benzonitrile is CCN(Cc1ccco1)c1cc(C#N)ccc1N.
What is the InChIKey of 4-amino-3-[ethyl(furan-2-ylmethyl)amino]benzonitrile?
The InChIKey is DQBBBKKAVJEWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-2-17(10-12-4-3-7-18-12)14-8-11(9-15)5-6-13(14)16/h3-8H,2,10,16H2,1H3.
What are the key properties of 4-amino-3-[ethyl(furan-2-ylmethyl)amino]benzonitrile?
4-amino-3-[ethyl(furan-2-ylmethyl)amino]benzonitrile has a molecular weight of 241.29 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[ethyl(furan-2-ylmethyl)amino]benzonitrile is sourced from PubChem (CID 104711640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).