N,2,4-trimethyl-N-[[5-(propylaminomethyl)furan-2-yl]methyl]aniline

C18H26N2O — CID 62436005

IUPACN,2,4-trimethyl-N-[[5-(propylaminomethyl)furan-2-yl]methyl]aniline
SMILESCCCNCc1ccc(CN(C)c2ccc(C)cc2C)o1
InChIInChI=1S/C18H26N2O/c1-5-10-19-12-16-7-8-17(21-16)13-20(4)18-9-6-14(2)11-15(18)3/h6-9,11,19H,5,10,12-13H2,1-4H3
InChIKeyFIAOXJDAYLQRHK-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.03
Rot. Bonds7

About N,2,4-trimethyl-N-[[5-(propylaminomethyl)furan-2-yl]methyl]aniline

N,2,4-trimethyl-N-[[5-(propylaminomethyl)furan-2-yl]methyl]aniline (PubChem CID 62436005) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N,2,4-trimethyl-N-[[5-(propylaminomethyl)furan-2-yl]methyl]aniline.

Molecular Properties

Compound NameN,2,4-trimethyl-N-[[5-(propylaminomethyl)furan-2-yl]methyl]aniline
PubChem CID62436005
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN,2,4-trimethyl-N-[[5-(propylaminomethyl)furan-2-yl]methyl]aniline
SMILESCCCNCc1ccc(CN(C)c2ccc(C)cc2C)o1
InChIInChI=1S/C18H26N2O/c1-5-10-19-12-16-7-8-17(21-16)13-20(4)18-9-6-14(2)11-15(18)3/h6-9,11,19H,5,10,12-13H2,1-4H3
InChIKeyFIAOXJDAYLQRHK-UHFFFAOYSA-N
XLogP4.03
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 62121867
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propylaminomethyl)aniline
CID 43526465
4-(ethylaminomethyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 62121534
N-ethyl-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 62119969
N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5-(propylaminomethyl)pyridin-4-amine
CID 81249049
N-propyl-5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine
CID 79771567
N-[[5-(3-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 43624804
N-[[5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62419238
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,2,4-trimethylaniline
CID 62436909
5-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde
CID 114054145
2-(propylamino)-4-(N,2,4-trimethylanilino)butan-1-ol
CID 64790360
N-propyl-4-[(N,2,4-trimethylanilino)methyl]thiadiazol-5-amine
CID 62207883

Frequently Asked Questions

What is the IUPAC name of N,2,4-trimethyl-N-[[5-(propylaminomethyl)furan-2-yl]methyl]aniline?
The IUPAC name of N,2,4-trimethyl-N-[[5-(propylaminomethyl)furan-2-yl]methyl]aniline (CID 62436005) is N,2,4-trimethyl-N-[[5-(propylaminomethyl)furan-2-yl]methyl]aniline.
What is the SMILES notation for N,2,4-trimethyl-N-[[5-(propylaminomethyl)furan-2-yl]methyl]aniline?
The canonical SMILES for N,2,4-trimethyl-N-[[5-(propylaminomethyl)furan-2-yl]methyl]aniline is CCCNCc1ccc(CN(C)c2ccc(C)cc2C)o1.
What is the InChIKey of N,2,4-trimethyl-N-[[5-(propylaminomethyl)furan-2-yl]methyl]aniline?
The InChIKey is FIAOXJDAYLQRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-5-10-19-12-16-7-8-17(21-16)13-20(4)18-9-6-14(2)11-15(18)3/h6-9,11,19H,5,10,12-13H2,1-4H3.
What are the key properties of N,2,4-trimethyl-N-[[5-(propylaminomethyl)furan-2-yl]methyl]aniline?
N,2,4-trimethyl-N-[[5-(propylaminomethyl)furan-2-yl]methyl]aniline has a molecular weight of 286.42 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trimethyl-N-[[5-(propylaminomethyl)furan-2-yl]methyl]aniline is sourced from PubChem (CID 62436005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).