N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propylaminomethyl)aniline

C17H24N2O — CID 43526465

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccccc1N(C)Cc1ccc(C)o1
InChIInChI=1S/C17H24N2O/c1-4-11-18-12-15-7-5-6-8-17(15)19(3)13-16-10-9-14(2)20-16/h5-10,18H,4,11-13H2,1-3H3
InChIKeyYKFXMUAOXQPGDY-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.72
Rot. Bonds7

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propylaminomethyl)aniline

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propylaminomethyl)aniline (PubChem CID 43526465) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propylaminomethyl)aniline.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propylaminomethyl)aniline
PubChem CID43526465
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccccc1N(C)Cc1ccc(C)o1
InChIInChI=1S/C17H24N2O/c1-4-11-18-12-15-7-5-6-8-17(15)19(3)13-16-10-9-14(2)20-16/h5-10,18H,4,11-13H2,1-3H3
InChIKeyYKFXMUAOXQPGDY-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine
CID 62279941
N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5-(propylaminomethyl)pyridin-4-amine
CID 81249049
N-methyl-N-[(4-methylphenyl)methyl]-2-(propylaminomethyl)aniline
CID 43281348
N-[[2-methyl-5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62420974
N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine
CID 62280099
3-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine
CID 105389063
N-[(4-chlorophenyl)methyl]-N-methyl-2-(propylaminomethyl)aniline
CID 63552832
N,2,4-trimethyl-N-[[5-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62436005
N-(3-methoxypropyl)-N-methyl-2-(propylaminomethyl)aniline
CID 55141079
5-chloro-N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline
CID 114848202
4-(ethylaminomethyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 62121534
N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(propylaminomethyl)aniline
CID 55008722

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propylaminomethyl)aniline?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propylaminomethyl)aniline (CID 43526465) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propylaminomethyl)aniline.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propylaminomethyl)aniline?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propylaminomethyl)aniline is CCCNCc1ccccc1N(C)Cc1ccc(C)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propylaminomethyl)aniline?
The InChIKey is YKFXMUAOXQPGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-11-18-12-15-7-5-6-8-17(15)19(3)13-16-10-9-14(2)20-16/h5-10,18H,4,11-13H2,1-3H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propylaminomethyl)aniline?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(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-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propylaminomethyl)aniline is sourced from PubChem (CID 43526465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).