N-[(5-methylfuran-3-yl)-(3-methylphenyl)methyl]ethanamine

C15H19NO — CID 115790238

IUPACN-[(5-methylfuran-3-yl)-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)c1coc(C)c1
InChIInChI=1S/C15H19NO/c1-4-16-15(14-9-12(3)17-10-14)13-7-5-6-11(2)8-13/h5-10,15-16H,4H2,1-3H3
InChIKeyPPWLSQHEUBFTQQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.60
Rot. Bonds4

About N-[(5-methylfuran-3-yl)-(3-methylphenyl)methyl]ethanamine

N-[(5-methylfuran-3-yl)-(3-methylphenyl)methyl]ethanamine (PubChem CID 115790238) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[(5-methylfuran-3-yl)-(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methylfuran-3-yl)-(3-methylphenyl)methyl]ethanamine
PubChem CID115790238
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-[(5-methylfuran-3-yl)-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)c1coc(C)c1
InChIInChI=1S/C15H19NO/c1-4-16-15(14-9-12(3)17-10-14)13-7-5-6-11(2)8-13/h5-10,15-16H,4H2,1-3H3
InChIKeyPPWLSQHEUBFTQQ-UHFFFAOYSA-N
XLogP3.60
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(5-methylfuran-3-yl)-1-(3-methylphenyl)methanamine
CID 115789821
N-[(4-bromophenyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114819976
N-[(4-ethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43491470
N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60797781
N-[(3-bromo-4-chlorophenyl)-(3-methylphenyl)methyl]ethanamine
CID 115567422
N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820177
N-[(2-fluorophenyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 115828096
N-[(5-chlorofuran-2-yl)-(3-methylphenyl)methyl]ethanamine
CID 106691457
N-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43488776
N-[(3-methylphenyl)-(3-propoxyphenyl)methyl]ethanamine
CID 115790073
N-[(5-methylfuran-3-yl)-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 115850651
N-[(2-fluoro-3-methylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 115790326

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-3-yl)-(3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-methylfuran-3-yl)-(3-methylphenyl)methyl]ethanamine (CID 115790238) is N-[(5-methylfuran-3-yl)-(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-methylfuran-3-yl)-(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-methylfuran-3-yl)-(3-methylphenyl)methyl]ethanamine is CCNC(c1cccc(C)c1)c1coc(C)c1.
What is the InChIKey of N-[(5-methylfuran-3-yl)-(3-methylphenyl)methyl]ethanamine?
The InChIKey is PPWLSQHEUBFTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-4-16-15(14-9-12(3)17-10-14)13-7-5-6-11(2)8-13/h5-10,15-16H,4H2,1-3H3.
What are the key properties of N-[(5-methylfuran-3-yl)-(3-methylphenyl)methyl]ethanamine?
N-[(5-methylfuran-3-yl)-(3-methylphenyl)methyl]ethanamine has a molecular weight of 229.32 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-3-yl)-(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 115790238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).