N,N-dimethyl-3-[[5-(propylaminomethyl)furan-2-yl]methoxy]aniline

C17H24N2O2 — CID 62484354

IUPACN,N-dimethyl-3-[[5-(propylaminomethyl)furan-2-yl]methoxy]aniline
SMILESCCCNCc1ccc(COc2cccc(N(C)C)c2)o1
InChIInChI=1S/C17H24N2O2/c1-4-10-18-12-16-8-9-17(21-16)13-20-15-7-5-6-14(11-15)19(2)3/h5-9,11,18H,4,10,12-13H2,1-3H3
InChIKeyWWDNXAPECBOUOQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.42
Rot. Bonds8

About N,N-dimethyl-3-[[5-(propylaminomethyl)furan-2-yl]methoxy]aniline

N,N-dimethyl-3-[[5-(propylaminomethyl)furan-2-yl]methoxy]aniline (PubChem CID 62484354) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N,N-dimethyl-3-[[5-(propylaminomethyl)furan-2-yl]methoxy]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[[5-(propylaminomethyl)furan-2-yl]methoxy]aniline
PubChem CID62484354
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN,N-dimethyl-3-[[5-(propylaminomethyl)furan-2-yl]methoxy]aniline
SMILESCCCNCc1ccc(COc2cccc(N(C)C)c2)o1
InChIInChI=1S/C17H24N2O2/c1-4-10-18-12-16-8-9-17(21-16)13-20-15-7-5-6-14(11-15)19(2)3/h5-9,11,18H,4,10,12-13H2,1-3H3
InChIKeyWWDNXAPECBOUOQ-UHFFFAOYSA-N
XLogP3.42
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 55077107
N-[[5-[(3-methoxyphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62454887
N,N-dimethyl-3-[1-(propylamino)propan-2-yloxy]aniline
CID 62485408
N-[[5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62452561
3-[[4-(ethylaminomethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 62484357
N-[[5-[(2,4,5-trichlorophenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 63491815
3-[[2-(ethylaminomethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 62484882
N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62453245
1-[5-[(3-ethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62452138
N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62459222
1-[5-[[3-(methoxymethyl)phenoxy]methyl]furan-2-yl]-N-methylmethanamine
CID 63986399
N-[[5-[(4-bromo-2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 63214658

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[5-(propylaminomethyl)furan-2-yl]methoxy]aniline?
The IUPAC name of N,N-dimethyl-3-[[5-(propylaminomethyl)furan-2-yl]methoxy]aniline (CID 62484354) is N,N-dimethyl-3-[[5-(propylaminomethyl)furan-2-yl]methoxy]aniline.
What is the SMILES notation for N,N-dimethyl-3-[[5-(propylaminomethyl)furan-2-yl]methoxy]aniline?
The canonical SMILES for N,N-dimethyl-3-[[5-(propylaminomethyl)furan-2-yl]methoxy]aniline is CCCNCc1ccc(COc2cccc(N(C)C)c2)o1.
What is the InChIKey of N,N-dimethyl-3-[[5-(propylaminomethyl)furan-2-yl]methoxy]aniline?
The InChIKey is WWDNXAPECBOUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-10-18-12-16-8-9-17(21-16)13-20-15-7-5-6-14(11-15)19(2)3/h5-9,11,18H,4,10,12-13H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[[5-(propylaminomethyl)furan-2-yl]methoxy]aniline?
N,N-dimethyl-3-[[5-(propylaminomethyl)furan-2-yl]methoxy]aniline has a molecular weight of 288.39 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[5-(propylaminomethyl)furan-2-yl]methoxy]aniline is sourced from PubChem (CID 62484354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).