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

C17H23NO2 — CID 112842027

IUPAC2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine
SMILESCOCCN(Cc1cccc(C)c1)Cc1ccc(C)o1
InChIInChI=1S/C17H23NO2/c1-14-5-4-6-16(11-14)12-18(9-10-19-3)13-17-8-7-15(2)20-17/h4-8,11H,9-10,12-13H2,1-3H3
InChIKeyIPHNEEDPIKIWCO-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.55
Rot. Bonds7

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

2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine (PubChem CID 112842027) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine
PubChem CID112842027
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine
SMILESCOCCN(Cc1cccc(C)c1)Cc1ccc(C)o1
InChIInChI=1S/C17H23NO2/c1-14-5-4-6-16(11-14)12-18(9-10-19-3)13-17-8-7-15(2)20-17/h4-8,11H,9-10,12-13H2,1-3H3
InChIKeyIPHNEEDPIKIWCO-UHFFFAOYSA-N
XLogP3.55
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-methoxyethyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
CID 63285263
[5-[[3-methoxypropyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol
CID 46017787
N'-benzyl-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 171442310
1-(2-methoxyethyl)-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 4238686
(2R)-1-[2-methoxyethyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93162983
1-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 42682228
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-1-(3-methylphenyl)methanesulfonamide
CID 56792262
3-butoxy-N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 5171820
N-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 166316645
[5-[[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]-diphenylmethanol
CID 46151282
N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 39357118
3-[[bis(2-methoxyethyl)amino]methyl]benzaldehyde
CID 84758482

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine (CID 112842027) is 2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine is COCCN(Cc1cccc(C)c1)Cc1ccc(C)o1.
What is the InChIKey of 2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine?
The InChIKey is IPHNEEDPIKIWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-14-5-4-6-16(11-14)12-18(9-10-19-3)13-17-8-7-15(2)20-17/h4-8,11H,9-10,12-13H2,1-3H3.
What are the key properties of 2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine?
2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 112842027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).