N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]aniline

C17H24N2O — CID 62437385

IUPACN-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]aniline
SMILESCCCNCc1cc(CN(C)c2ccccc2)c(C)o1
InChIInChI=1S/C17H24N2O/c1-4-10-18-12-17-11-15(14(2)20-17)13-19(3)16-8-6-5-7-9-16/h5-9,11,18H,4,10,12-13H2,1-3H3
InChIKeyCQAMZGKKTIQFGM-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.72
Rot. Bonds7

About N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]aniline

N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]aniline (PubChem CID 62437385) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]aniline
PubChem CID62437385
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]aniline
SMILESCCCNCc1cc(CN(C)c2ccccc2)c(C)o1
InChIInChI=1S/C17H24N2O/c1-4-10-18-12-17-11-15(14(2)20-17)13-19(3)16-8-6-5-7-9-16/h5-9,11,18H,4,10,12-13H2,1-3H3
InChIKeyCQAMZGKKTIQFGM-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-[[2-methyl-5-[(2-methylpropylamino)methyl]furan-3-yl]methyl]aniline
CID 62437571
4-fluoro-N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62436050
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]cyclopentanamine
CID 62419092
N-[[4-[(tert-butylamino)methyl]-5-methylfuran-2-yl]methyl]-N-methylaniline
CID 62438508
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]cycloheptanamine
CID 62434059
N-[[4-[[bis(prop-2-enyl)amino]methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62438260
N,3,3-trimethyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]butan-2-amine
CID 62427206
N-[[4-[[2-ethoxyethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 81068367
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]oxolan-3-amine
CID 82754169
N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62417408
N-[[5-methyl-4-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62453613
N-[[2-methyl-5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62420974

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]aniline?
The IUPAC name of N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]aniline (CID 62437385) is N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]aniline.
What is the SMILES notation for N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]aniline?
The canonical SMILES for N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]aniline is CCCNCc1cc(CN(C)c2ccccc2)c(C)o1.
What is the InChIKey of N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]aniline?
The InChIKey is CQAMZGKKTIQFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-10-18-12-17-11-15(14(2)20-17)13-19(3)16-8-6-5-7-9-16/h5-9,11,18H,4,10,12-13H2,1-3H3.
What are the key properties of N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]aniline?
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]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-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]aniline is sourced from PubChem (CID 62437385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).