N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylaniline

C14H15NO — CID 115865967

IUPACN-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylaniline
SMILESCc1ccc(NC/C=C/c2ccco2)cc1
InChIInChI=1S/C14H15NO/c1-12-6-8-13(9-7-12)15-10-2-4-14-5-3-11-16-14/h2-9,11,15H,10H2,1H3/b4-2+
InChIKeySGGNBEKVVSJCRG-DUXPYHPUSA-N
MW213.28 g/mol
LogP3.71
Rot. Bonds4

About N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylaniline

N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylaniline (PubChem CID 115865967) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylaniline.

Molecular Properties

Compound NameN-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylaniline
PubChem CID115865967
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC NameN-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylaniline
SMILESCc1ccc(NC/C=C/c2ccco2)cc1
InChIInChI=1S/C14H15NO/c1-12-6-8-13(9-7-12)15-10-2-4-14-5-3-11-16-14/h2-9,11,15H,10H2,1H3/b4-2+
InChIKeySGGNBEKVVSJCRG-DUXPYHPUSA-N
XLogP3.71
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(E)-3-(furan-2-yl)prop-2-enyl]-5-methylpyridin-2-amine
CID 115865971
3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 79347007
N-[3-(furan-2-yl)prop-2-enyl]-2-methylpropan-2-amine
CID 79348296
N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylthiophen-3-amine
CID 115866144
butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 142079105
N-[(E)-3-(furan-2-yl)prop-2-enyl]-3,3-dimethylbutan-1-amine
CID 115865915
N-[(E)-3-(furan-2-yl)prop-2-enyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115866089
N'-[4-(furan-2-yl)buta-1,3-dien-2-yl]-2-(4-methylanilino)acetohydrazide
CID 3609219
N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylcyclohexan-1-amine
CID 103868550
N-[(E)-3-(furan-2-yl)prop-2-enyl]cycloheptanamine
CID 115865874
(2R)-1-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]propan-2-ol
CID 103884288
N-[(E)-3-(furan-2-yl)prop-2-enyl]but-3-en-2-amine
CID 115866111

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylaniline?
The IUPAC name of N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylaniline (CID 115865967) is N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylaniline.
What is the SMILES notation for N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylaniline?
The canonical SMILES for N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylaniline is Cc1ccc(NC/C=C/c2ccco2)cc1.
What is the InChIKey of N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylaniline?
The InChIKey is SGGNBEKVVSJCRG-DUXPYHPUSA-N. The full InChI is InChI=1S/C14H15NO/c1-12-6-8-13(9-7-12)15-10-2-4-14-5-3-11-16-14/h2-9,11,15H,10H2,1H3/b4-2+.
What are the key properties of N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylaniline?
N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylaniline has a molecular weight of 213.28 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(furan-2-yl)prop-2-enyl]-4-methylaniline is sourced from PubChem (CID 115865967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).