4-N,4-N-diethyl-1-N-[(3-methylfuran-2-yl)methyl]benzene-1,4-diamine

C16H22N2O — CID 115742858

IUPAC4-N,4-N-diethyl-1-N-[(3-methylfuran-2-yl)methyl]benzene-1,4-diamine
SMILESCCN(CC)c1ccc(NCc2occc2C)cc1
InChIInChI=1S/C16H22N2O/c1-4-18(5-2)15-8-6-14(7-9-15)17-12-16-13(3)10-11-19-16/h6-11,17H,4-5,12H2,1-3H3
InChIKeyPFFPJDHDCRDMIF-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.05
Rot. Bonds6

About 4-N,4-N-diethyl-1-N-[(3-methylfuran-2-yl)methyl]benzene-1,4-diamine

4-N,4-N-diethyl-1-N-[(3-methylfuran-2-yl)methyl]benzene-1,4-diamine (PubChem CID 115742858) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-[(3-methylfuran-2-yl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-[(3-methylfuran-2-yl)methyl]benzene-1,4-diamine
PubChem CID115742858
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name4-N,4-N-diethyl-1-N-[(3-methylfuran-2-yl)methyl]benzene-1,4-diamine
SMILESCCN(CC)c1ccc(NCc2occc2C)cc1
InChIInChI=1S/C16H22N2O/c1-4-18(5-2)15-8-6-14(7-9-15)17-12-16-13(3)10-11-19-16/h6-11,17H,4-5,12H2,1-3H3
InChIKeyPFFPJDHDCRDMIF-UHFFFAOYSA-N
XLogP4.05
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115749342
6-fluoro-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine
CID 115749492
4-N,4-N-diethyl-1-N-[(5-ethylthiophen-2-yl)methyl]benzene-1,4-diamine
CID 62346787
3,5-dimethoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 113242993
1-N-[(4-bromo-3-methylphenyl)methyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 66475010
1-N-[(3-bromo-4-methylphenyl)methyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 105401165
2-[[4-(diethylamino)anilino]methyl]-6-methylphenol
CID 115904064
4-N,4-N-diethyl-1-N-[(4-fluoro-3-methylphenyl)methyl]benzene-1,4-diamine
CID 62120225
1-N-(2,2-dimethylpropyl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 54796313
4-N,4-N-diethyl-1-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzene-1,4-diamine
CID 155563136
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
2-[4-(diethylamino)anilino]acetonitrile
CID 63180222

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-[(3-methylfuran-2-yl)methyl]benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-1-N-[(3-methylfuran-2-yl)methyl]benzene-1,4-diamine (CID 115742858) is 4-N,4-N-diethyl-1-N-[(3-methylfuran-2-yl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-[(3-methylfuran-2-yl)methyl]benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-1-N-[(3-methylfuran-2-yl)methyl]benzene-1,4-diamine is CCN(CC)c1ccc(NCc2occc2C)cc1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-[(3-methylfuran-2-yl)methyl]benzene-1,4-diamine?
The InChIKey is PFFPJDHDCRDMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-18(5-2)15-8-6-14(7-9-15)17-12-16-13(3)10-11-19-16/h6-11,17H,4-5,12H2,1-3H3.
What are the key properties of 4-N,4-N-diethyl-1-N-[(3-methylfuran-2-yl)methyl]benzene-1,4-diamine?
4-N,4-N-diethyl-1-N-[(3-methylfuran-2-yl)methyl]benzene-1,4-diamine has a molecular weight of 258.36 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-[(3-methylfuran-2-yl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 115742858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).