N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine

C18H26N2O — CID 43121384

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine
SMILESCc1cc(C(C)NCc2ccccc2CN(C)C)c(C)o1
InChIInChI=1S/C18H26N2O/c1-13-10-18(15(3)21-13)14(2)19-11-16-8-6-7-9-17(16)12-20(4)5/h6-10,14,19H,11-12H2,1-5H3
InChIKeyUGUKTSGBSBXRRZ-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.81
Rot. Bonds6

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine (PubChem CID 43121384) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine
PubChem CID43121384
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine
SMILESCc1cc(C(C)NCc2ccccc2CN(C)C)c(C)o1
InChIInChI=1S/C18H26N2O/c1-13-10-18(15(3)21-13)14(2)19-11-16-8-6-7-9-17(16)12-20(4)5/h6-10,14,19H,11-12H2,1-5H3
InChIKeyUGUKTSGBSBXRRZ-UHFFFAOYSA-N
XLogP3.81
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]benzoic acid
CID 103246125
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2-fluorophenyl)ethanamine
CID 43203767
3-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-2-fluorobenzonitrile
CID 104579159
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 80649702
4-[(dimethylamino)methyl]-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline
CID 43747364
1-(2,5-dimethylfuran-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 62472790
1-(2,5-dimethylfuran-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 47081563
3-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-N,N-dimethylbenzamide
CID 86789732
N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 43121203
2-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propane-1,2-diamine
CID 103387459
1-(2,5-dimethylfuran-3-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62314080
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-phenylpropan-1-amine
CID 43121361

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine (CID 43121384) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine is Cc1cc(C(C)NCc2ccccc2CN(C)C)c(C)o1.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine?
The InChIKey is UGUKTSGBSBXRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-10-18(15(3)21-13)14(2)19-11-16-8-6-7-9-17(16)12-20(4)5/h6-10,14,19H,11-12H2,1-5H3.
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine has a molecular weight of 286.42 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine is sourced from PubChem (CID 43121384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).