4-[(dimethylamino)methyl]-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline

C17H24N2O — CID 43747364

IUPAC4-[(dimethylamino)methyl]-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline
SMILESCc1cc(C(C)Nc2ccc(CN(C)C)cc2)c(C)o1
InChIInChI=1S/C17H24N2O/c1-12-10-17(14(3)20-12)13(2)18-16-8-6-15(7-9-16)11-19(4)5/h6-10,13,18H,11H2,1-5H3
InChIKeyBNGSMMXFCPQKHI-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.13
Rot. Bonds5

About 4-[(dimethylamino)methyl]-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline

4-[(dimethylamino)methyl]-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline (PubChem CID 43747364) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline
PubChem CID43747364
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-[(dimethylamino)methyl]-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline
SMILESCc1cc(C(C)Nc2ccc(CN(C)C)cc2)c(C)o1
InChIInChI=1S/C17H24N2O/c1-12-10-17(14(3)20-12)13(2)18-16-8-6-15(7-9-16)11-19(4)5/h6-10,13,18H,11H2,1-5H3
InChIKeyBNGSMMXFCPQKHI-UHFFFAOYSA-N
XLogP4.13
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Dimethyl-3-furancarboxanilide
CID 34281
(2E)-2-cyano-3-(5-methylfuran-2-yl)-N-(3-methylphenyl)prop-2-enamide
CID 738805
(2E)-N-(4-Acetylphenyl)-3-(5-ethyl-2-furyl)acrylamide
CID 7464118
3-(5-ethylfuran-2-yl)-N-(4-ethylphenyl)propanamide
CID 942220
N-(4-ethylphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 2952210
3-acetamido-N-[2-(furan-2-yl)ethyl]benzamide
CID 9506757
2,5-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylfuran-3-carboxamide
CID 25163737
(2E)-2-cyano-3-(5-methylfuran-2-yl)-N-(4-methylphenyl)prop-2-enamide
CID 738823
N-(4-acetylphenyl)-3-(5-ethylfuran-2-yl)propanamide
CID 941877
(E)-N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712905
1-[4-(Dimethylamino)phenyl]-5-(2-furyl)-1,4-pentadien-3-one
CID 744328
N-[4-(dimethylamino)phenyl]-3-(5-methyl-2-furyl)acrylamide
CID 888046

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline?
The IUPAC name of 4-[(dimethylamino)methyl]-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline (CID 43747364) is 4-[(dimethylamino)methyl]-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline is Cc1cc(C(C)Nc2ccc(CN(C)C)cc2)c(C)o1.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline?
The InChIKey is BNGSMMXFCPQKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-10-17(14(3)20-12)13(2)18-16-8-6-15(7-9-16)11-19(4)5/h6-10,13,18H,11H2,1-5H3.
What are the key properties of 4-[(dimethylamino)methyl]-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline?
4-[(dimethylamino)methyl]-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline has a molecular weight of 272.39 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline is sourced from PubChem (CID 43747364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).