N-(furan-2-ylmethyl)-N,2-dimethyl-4-(propylaminomethyl)aniline

C17H24N2O — CID 62121867

IUPACN-(furan-2-ylmethyl)-N,2-dimethyl-4-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(N(C)Cc2ccco2)c(C)c1
InChIInChI=1S/C17H24N2O/c1-4-9-18-12-15-7-8-17(14(2)11-15)19(3)13-16-6-5-10-20-16/h5-8,10-11,18H,4,9,12-13H2,1-3H3
InChIKeyNLKKBFLNBJRVBH-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.72
Rot. Bonds7

About N-(furan-2-ylmethyl)-N,2-dimethyl-4-(propylaminomethyl)aniline

N-(furan-2-ylmethyl)-N,2-dimethyl-4-(propylaminomethyl)aniline (PubChem CID 62121867) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N,2-dimethyl-4-(propylaminomethyl)aniline.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N,2-dimethyl-4-(propylaminomethyl)aniline
PubChem CID62121867
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(furan-2-ylmethyl)-N,2-dimethyl-4-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(N(C)Cc2ccco2)c(C)c1
InChIInChI=1S/C17H24N2O/c1-4-9-18-12-15-7-8-17(14(2)11-15)19(3)13-16-6-5-10-20-16/h5-8,10-11,18H,4,9,12-13H2,1-3H3
InChIKeyNLKKBFLNBJRVBH-UHFFFAOYSA-N
XLogP3.72
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 62119969
4-(2-aminopropyl)-N-(furan-2-ylmethyl)-N,2-dimethylaniline
CID 63786459
5-chloro-N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline
CID 114848202
2-chloro-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylaniline
CID 81149232
4-(ethylaminomethyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 62121534
N,2,4-trimethyl-N-[[5-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62436005
4-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile
CID 54934467
N,2-dimethyl-N-(oxan-4-ylmethyl)-4-(propylaminomethyl)aniline
CID 63711399
N,2-dimethyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline
CID 55040116
2-[2-methyl-N-propan-2-yl-4-(propylaminomethyl)anilino]ethanol
CID 62123309
N-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 63550642
2-[N-ethyl-2-methyl-4-(propylaminomethyl)anilino]-N,N-dimethylacetamide
CID 62120859

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N,2-dimethyl-4-(propylaminomethyl)aniline?
The IUPAC name of N-(furan-2-ylmethyl)-N,2-dimethyl-4-(propylaminomethyl)aniline (CID 62121867) is N-(furan-2-ylmethyl)-N,2-dimethyl-4-(propylaminomethyl)aniline.
What is the SMILES notation for N-(furan-2-ylmethyl)-N,2-dimethyl-4-(propylaminomethyl)aniline?
The canonical SMILES for N-(furan-2-ylmethyl)-N,2-dimethyl-4-(propylaminomethyl)aniline is CCCNCc1ccc(N(C)Cc2ccco2)c(C)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-N,2-dimethyl-4-(propylaminomethyl)aniline?
The InChIKey is NLKKBFLNBJRVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-9-18-12-15-7-8-17(14(2)11-15)19(3)13-16-6-5-10-20-16/h5-8,10-11,18H,4,9,12-13H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-N,2-dimethyl-4-(propylaminomethyl)aniline?
N-(furan-2-ylmethyl)-N,2-dimethyl-4-(propylaminomethyl)aniline has a molecular weight of 272.39 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N,2-dimethyl-4-(propylaminomethyl)aniline is sourced from PubChem (CID 62121867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).