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

C19H27NO — CID 105050768

IUPACN-[(2,5-dimethylfuran-3-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(CC(C)C)c1)c1cc(C)oc1C
InChIInChI=1S/C19H27NO/c1-6-20-19(18-11-14(4)21-15(18)5)17-9-7-8-16(12-17)10-13(2)3/h7-9,11-13,19-20H,6,10H2,1-5H3
InChIKeyMARJJPCKMIBFGL-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.79
Rot. Bonds6

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

N-[(2,5-dimethylfuran-3-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine (PubChem CID 105050768) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
PubChem CID105050768
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-[(2,5-dimethylfuran-3-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(CC(C)C)c1)c1cc(C)oc1C
InChIInChI=1S/C19H27NO/c1-6-20-19(18-11-14(4)21-15(18)5)17-9-7-8-16(12-17)10-13(2)3/h7-9,11-13,19-20H,6,10H2,1-5H3
InChIKeyMARJJPCKMIBFGL-UHFFFAOYSA-N
XLogP4.79
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105050302
N-[(2-bromophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544140
N-[(2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544290
N-[furan-2-yl-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544236
N-[(3-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116543854
N-[(2,5-dimethylfuran-3-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820182
N-[(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 81477159
N-[[3-(2-methylpropyl)phenyl]-pyridazin-4-ylmethyl]ethanamine
CID 105188044
N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 105050775
N-[(2-bromo-3-methylphenyl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 107982004
N-[(3-fluoro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544944
N-ethyl-3-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
CID 105050715

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine (CID 105050768) is N-[(2,5-dimethylfuran-3-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine is CCNC(c1cccc(CC(C)C)c1)c1cc(C)oc1C.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine?
The InChIKey is MARJJPCKMIBFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-6-20-19(18-11-14(4)21-15(18)5)17-9-7-8-16(12-17)10-13(2)3/h7-9,11-13,19-20H,6,10H2,1-5H3.
What are the key properties of N-[(2,5-dimethylfuran-3-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine?
N-[(2,5-dimethylfuran-3-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine has a molecular weight of 285.43 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 105050768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).