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

C19H19NO — CID 43103663

IUPACN-[furan-2-yl(phenyl)methyl]-2,4-dimethylaniline
SMILESCc1ccc(NC(c2ccccc2)c2ccco2)c(C)c1
InChIInChI=1S/C19H19NO/c1-14-10-11-17(15(2)13-14)20-19(18-9-6-12-21-18)16-7-4-3-5-8-16/h3-13,19-20H,1-2H3
InChIKeyVRYVLWWGMASLBB-UHFFFAOYSA-N
MW277.37 g/mol
LogP5.10
Rot. Bonds4

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

N-[furan-2-yl(phenyl)methyl]-2,4-dimethylaniline (PubChem CID 43103663) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[furan-2-yl(phenyl)methyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[furan-2-yl(phenyl)methyl]-2,4-dimethylaniline
PubChem CID43103663
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC NameN-[furan-2-yl(phenyl)methyl]-2,4-dimethylaniline
SMILESCc1ccc(NC(c2ccccc2)c2ccco2)c(C)c1
InChIInChI=1S/C19H19NO/c1-14-10-11-17(15(2)13-14)20-19(18-9-6-12-21-18)16-7-4-3-5-8-16/h3-13,19-20H,1-2H3
InChIKeyVRYVLWWGMASLBB-UHFFFAOYSA-N
XLogP5.10
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.37
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8696064
2,4-dimethyl-N-(2-methyl-1-phenylpropyl)aniline
CID 43755773
2-bromo-4-chloro-N-[furan-2-yl(phenyl)methyl]aniline
CID 81251674
3-fluoro-N-[furan-2-yl(phenyl)methyl]-4-methylaniline
CID 43108707
4-fluoro-N-[furan-2-yl(phenyl)methyl]-3-methylaniline
CID 62809842
2,5-dibromo-N-[furan-2-yl(phenyl)methyl]aniline
CID 43736789
(1R)-1-(furan-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 90212494
N-[furan-2-yl(phenyl)methyl]-2-methoxypyridin-3-amine
CID 43721900
(1R)-1-(furan-2-yl)-N-[furan-2-yl(phenyl)methyl]ethanamine
CID 81402613
N-[(R)-furan-2-yl(phenyl)methyl]-3,5-dimethylbenzamide
CID 8928204
3-fluoro-N-[furan-2-yl(phenyl)methyl]aniline
CID 43194263
N-[(2,4-dimethylphenyl)-(furan-2-yl)methyl]ethanamine
CID 43489925

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(phenyl)methyl]-2,4-dimethylaniline?
The IUPAC name of N-[furan-2-yl(phenyl)methyl]-2,4-dimethylaniline (CID 43103663) is N-[furan-2-yl(phenyl)methyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[furan-2-yl(phenyl)methyl]-2,4-dimethylaniline?
The canonical SMILES for N-[furan-2-yl(phenyl)methyl]-2,4-dimethylaniline is Cc1ccc(NC(c2ccccc2)c2ccco2)c(C)c1.
What is the InChIKey of N-[furan-2-yl(phenyl)methyl]-2,4-dimethylaniline?
The InChIKey is VRYVLWWGMASLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-14-10-11-17(15(2)13-14)20-19(18-9-6-12-21-18)16-7-4-3-5-8-16/h3-13,19-20H,1-2H3.
What are the key properties of N-[furan-2-yl(phenyl)methyl]-2,4-dimethylaniline?
N-[furan-2-yl(phenyl)methyl]-2,4-dimethylaniline has a molecular weight of 277.37 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl(phenyl)methyl]-2,4-dimethylaniline is sourced from PubChem (CID 43103663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).