N-[[5-[[benzyl(ethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine

C18H26N2O — CID 62418480

IUPACN-[[5-[[benzyl(ethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
SMILESCCN(Cc1ccccc1)Cc1cc(CNC(C)C)co1
InChIInChI=1S/C18H26N2O/c1-4-20(12-16-8-6-5-7-9-16)13-18-10-17(14-21-18)11-19-15(2)3/h5-10,14-15,19H,4,11-13H2,1-3H3
InChIKeyHXKZQBDOBOZIOD-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.80
Rot. Bonds8

About N-[[5-[[benzyl(ethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine

N-[[5-[[benzyl(ethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine (PubChem CID 62418480) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[[5-[[benzyl(ethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[[benzyl(ethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
PubChem CID62418480
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[[5-[[benzyl(ethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
SMILESCCN(Cc1ccccc1)Cc1cc(CNC(C)C)co1
InChIInChI=1S/C18H26N2O/c1-4-20(12-16-8-6-5-7-9-16)13-18-10-17(14-21-18)11-19-15(2)3/h5-10,14-15,19H,4,11-13H2,1-3H3
InChIKeyHXKZQBDOBOZIOD-UHFFFAOYSA-N
XLogP3.80
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 79481155
N-ethyl-3-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline
CID 62428170
N-[[5-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62433273
N,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]propan-1-amine
CID 62420162
N-(2-methylpropyl)-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine
CID 79488811
N,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]prop-2-en-1-amine
CID 113498791
N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62417078
N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 76943780
N-ethyl-2-methyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 79481377
N-methyl-3-methylsulfanyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]propan-1-amine
CID 114238247
N-[[4-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 62421990
N-[[5-[[cyclopropylmethyl(ethyl)amino]methyl]furan-3-yl]methyl]ethanamine
CID 63940661

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[benzyl(ethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[[benzyl(ethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine (CID 62418480) is N-[[5-[[benzyl(ethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[[benzyl(ethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[[benzyl(ethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine is CCN(Cc1ccccc1)Cc1cc(CNC(C)C)co1.
What is the InChIKey of N-[[5-[[benzyl(ethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine?
The InChIKey is HXKZQBDOBOZIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-20(12-16-8-6-5-7-9-16)13-18-10-17(14-21-18)11-19-15(2)3/h5-10,14-15,19H,4,11-13H2,1-3H3.
What are the key properties of N-[[5-[[benzyl(ethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine?
N-[[5-[[benzyl(ethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine has a molecular weight of 286.42 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[benzyl(ethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62418480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).