N-[(5-methylfuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine

C15H19NO — CID 55081693

IUPACN-[(5-methylfuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(C)NCc2ccc(C)o2)c1
InChIInChI=1S/C15H19NO/c1-11-5-4-6-14(9-11)13(3)16-10-15-8-7-12(2)17-15/h4-9,13,16H,10H2,1-3H3
InChIKeyGBFYJKDQBKLUED-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.75
Rot. Bonds4

About N-[(5-methylfuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine

N-[(5-methylfuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine (PubChem CID 55081693) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine
PubChem CID55081693
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(C)NCc2ccc(C)o2)c1
InChIInChI=1S/C15H19NO/c1-11-5-4-6-14(9-11)13(3)16-10-15-8-7-12(2)17-15/h4-9,13,16H,10H2,1-3H3
InChIKeyGBFYJKDQBKLUED-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-yl]methanol
CID 81364609
(1S)-1-(3-methylphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 81364045
1-(3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 54863619
N-methyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-sulfonamide
CID 81369614
N-[(5-methylfuran-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62523324
(1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81363211
(1R)-1-(furan-2-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 81402622
(1S)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81361545
(1R)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364360
[1-(3-methylphenyl)ethylamino]methanolate
CID 163854725
1-(4-ethylsulfanylphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 119114919
(1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363727

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine (CID 55081693) is N-[(5-methylfuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine is Cc1cccc(C(C)NCc2ccc(C)o2)c1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine?
The InChIKey is GBFYJKDQBKLUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11-5-4-6-14(9-11)13(3)16-10-15-8-7-12(2)17-15/h4-9,13,16H,10H2,1-3H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine?
N-[(5-methylfuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine has a molecular weight of 229.32 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 55081693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).