N-[(4-aminophenyl)methyl]-4-(furan-2-yl)-2,3-dimethylaniline

C19H20N2O — CID 59230441

IUPACN-[(4-aminophenyl)methyl]-4-(furan-2-yl)-2,3-dimethylaniline
SMILESCc1c(NCc2ccc(N)cc2)ccc(-c2ccco2)c1C
InChIInChI=1S/C19H20N2O/c1-13-14(2)18(10-9-17(13)19-4-3-11-22-19)21-12-15-5-7-16(20)8-6-15/h3-11,21H,12,20H2,1-2H3
InChIKeyWCTHNHAOGWNNLK-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.76
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-4-(furan-2-yl)-2,3-dimethylaniline

N-[(4-aminophenyl)methyl]-4-(furan-2-yl)-2,3-dimethylaniline (PubChem CID 59230441) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-4-(furan-2-yl)-2,3-dimethylaniline.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-4-(furan-2-yl)-2,3-dimethylaniline
PubChem CID59230441
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC NameN-[(4-aminophenyl)methyl]-4-(furan-2-yl)-2,3-dimethylaniline
SMILESCc1c(NCc2ccc(N)cc2)ccc(-c2ccco2)c1C
InChIInChI=1S/C19H20N2O/c1-13-14(2)18(10-9-17(13)19-4-3-11-22-19)21-12-15-5-7-16(20)8-6-15/h3-11,21H,12,20H2,1-2H3
InChIKeyWCTHNHAOGWNNLK-UHFFFAOYSA-N
XLogP4.76
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.76
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-[(4-aminophenyl)methyl]-4-methoxy-2,3-dimethylaniline
CID 115212367
2-methyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-diamine
CID 55146226
N-[5-[4-(furan-2-yl)-2,3-dimethylanilino]pentyl]propane-2-sulfonamide
CID 70939264
3-(furan-2-yl)-4-methylaniline
CID 61319019
2-[2,3-dimethyl-4-(2-phenylethyl)phenyl]furan
CID 91277036
1-N-(furan-2-ylmethyl)-4-methylbenzene-1,2-diamine
CID 43349415
3-[4-(benzylamino)-3-(furan-2-yl)phenyl]-1H-pyridazin-6-one
CID 168527891
5-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)-2,3-dimethylphenyl]pentanamide
CID 20630149
1-[4-(furan-2-yl)phenyl]-N-methylmethanamine
CID 7537512
2-(furan-2-yl)-N,4-dimethylaniline
CID 145268852
N-[(4-aminophenyl)methyl]-2-chloro-4-methoxyaniline
CID 115212369
1-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 60925358

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-4-(furan-2-yl)-2,3-dimethylaniline?
The IUPAC name of N-[(4-aminophenyl)methyl]-4-(furan-2-yl)-2,3-dimethylaniline (CID 59230441) is N-[(4-aminophenyl)methyl]-4-(furan-2-yl)-2,3-dimethylaniline.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-4-(furan-2-yl)-2,3-dimethylaniline?
The canonical SMILES for N-[(4-aminophenyl)methyl]-4-(furan-2-yl)-2,3-dimethylaniline is Cc1c(NCc2ccc(N)cc2)ccc(-c2ccco2)c1C.
What is the InChIKey of N-[(4-aminophenyl)methyl]-4-(furan-2-yl)-2,3-dimethylaniline?
The InChIKey is WCTHNHAOGWNNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-13-14(2)18(10-9-17(13)19-4-3-11-22-19)21-12-15-5-7-16(20)8-6-15/h3-11,21H,12,20H2,1-2H3.
What are the key properties of N-[(4-aminophenyl)methyl]-4-(furan-2-yl)-2,3-dimethylaniline?
N-[(4-aminophenyl)methyl]-4-(furan-2-yl)-2,3-dimethylaniline has a molecular weight of 292.38 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-4-(furan-2-yl)-2,3-dimethylaniline is sourced from PubChem (CID 59230441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).