8-N-[(3-fluoro-2-methylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine

C21H19FN2O — CID 22663962

IUPAC8-N-[(3-fluoro-2-methylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine
SMILESCNc1ccc2oc3ccc(NCc4cccc(F)c4C)cc3c2c1
InChIInChI=1S/C21H19FN2O/c1-13-14(4-3-5-19(13)22)12-24-16-7-9-21-18(11-16)17-10-15(23-2)6-8-20(17)25-21/h3-11,23-24H,12H2,1-2H3
InChIKeyMZVDPVCJDFMWQN-UHFFFAOYSA-N
MW334.39 g/mol
LogP5.69
Rot. Bonds4

About 8-N-[(3-fluoro-2-methylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine

8-N-[(3-fluoro-2-methylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine (PubChem CID 22663962) has the molecular formula C21H19FN2O and a molecular weight of 334.39 g/mol. Its IUPAC name is 8-N-[(3-fluoro-2-methylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine.

Molecular Properties

Compound Name8-N-[(3-fluoro-2-methylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine
PubChem CID22663962
Molecular FormulaC21H19FN2O
Molecular Weight334.39 g/mol
Exact Mass334.15
IUPAC Name8-N-[(3-fluoro-2-methylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine
SMILESCNc1ccc2oc3ccc(NCc4cccc(F)c4C)cc3c2c1
InChIInChI=1S/C21H19FN2O/c1-13-14(4-3-5-19(13)22)12-24-16-7-9-21-18(11-16)17-10-15(23-2)6-8-20(17)25-21/h3-11,23-24H,12H2,1-2H3
InChIKeyMZVDPVCJDFMWQN-UHFFFAOYSA-N
XLogP5.69
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.39
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-N-[(3-fluoro-2-methylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Dibenzofuranamine
CID 19405
2-(3-Methyl-4-Oxo-3,4-Dihydrophthalazin-1-Yl)-N-(6,7,8,9-Tetrahydrodibenzo[b,D]furan-2-Yl)acetamide
CID 71552341
1-(1-Benzofuran-2-yl)-3-[(3-fluorophenyl)amino]propan-1-one
CID 1508394
4-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylamino}-benzonitrile
CID 11573764
3-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylamino}-benzonitrile
CID 11681731
4-(5-(125I)iodo-1-benzofuran-2-yl)-N-methyl(125I)aniline
CID 71451875
1-(1-Benzofuran-2-yl)-3-[(4-fluorophenyl)amino]propan-1-one
CID 1503535
methyl N-[3-(2-benzamidoethyl)-1-benzofuran-5-yl]carbamate
CID 17956992
Methyl 3-(2-isobutyramidoethyl)benzofuran-5-ylcarbamate
CID 17957007
methyl N-[3-(2-acetamidoethyl)-1-benzofuran-5-yl]carbamate
CID 18174981
N-(2-(5-Methoxycarbonylamino-benzo[b]furan-3-yl)ethyl)cyclopropylcarboxamide
CID 25014882
N-(2-methylbenzofuran-5-yl)-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide
CID 71552340

Frequently Asked Questions

What is the IUPAC name of 8-N-[(3-fluoro-2-methylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine?
The IUPAC name of 8-N-[(3-fluoro-2-methylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine (CID 22663962) is 8-N-[(3-fluoro-2-methylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine.
What is the SMILES notation for 8-N-[(3-fluoro-2-methylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine?
The canonical SMILES for 8-N-[(3-fluoro-2-methylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine is CNc1ccc2oc3ccc(NCc4cccc(F)c4C)cc3c2c1.
What is the InChIKey of 8-N-[(3-fluoro-2-methylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine?
The InChIKey is MZVDPVCJDFMWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O/c1-13-14(4-3-5-19(13)22)12-24-16-7-9-21-18(11-16)17-10-15(23-2)6-8-20(17)25-21/h3-11,23-24H,12H2,1-2H3.
What are the key properties of 8-N-[(3-fluoro-2-methylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine?
8-N-[(3-fluoro-2-methylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine has a molecular weight of 334.39 g/mol, XLogP of 5.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(3-fluoro-2-methylphenyl)methyl]-2-N-methyldibenzofuran-2,8-diamine is sourced from PubChem (CID 22663962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).