1-[(2-methoxyphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol

C16H21NO3 — CID 111468456

IUPAC1-[(2-methoxyphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
SMILESCOc1ccccc1CNCC(C)(O)c1ccc(C)o1
InChIInChI=1S/C16H21NO3/c1-12-8-9-15(20-12)16(2,18)11-17-10-13-6-4-5-7-14(13)19-3/h4-9,17-18H,10-11H2,1-3H3
InChIKeyUMPULMPKYTWNEB-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.59
Rot. Bonds6

About 1-[(2-methoxyphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol

1-[(2-methoxyphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol (PubChem CID 111468456) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
PubChem CID111468456
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-[(2-methoxyphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
SMILESCOc1ccccc1CNCC(C)(O)c1ccc(C)o1
InChIInChI=1S/C16H21NO3/c1-12-8-9-15(20-12)16(2,18)11-17-10-13-6-4-5-7-14(13)19-3/h4-9,17-18H,10-11H2,1-3H3
InChIKeyUMPULMPKYTWNEB-UHFFFAOYSA-N
XLogP2.59
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468379
1-[(4-methoxy-3-methylsulfanylphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468543
1-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222301
1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468429
(2R)-2-(5-methylfuran-2-yl)-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]propan-2-ol
CID 97002401
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-propan-2-yloxyphenyl)urea
CID 111473769
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468364
N-[(2-methoxyphenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28625170
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111479428
1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 104791866
(2S)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
CID 1482360
(2R)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
CID 1482361

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol?
The IUPAC name of 1-[(2-methoxyphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol (CID 111468456) is 1-[(2-methoxyphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol.
What is the SMILES notation for 1-[(2-methoxyphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol?
The canonical SMILES for 1-[(2-methoxyphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol is COc1ccccc1CNCC(C)(O)c1ccc(C)o1.
What is the InChIKey of 1-[(2-methoxyphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol?
The InChIKey is UMPULMPKYTWNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12-8-9-15(20-12)16(2,18)11-17-10-13-6-4-5-7-14(13)19-3/h4-9,17-18H,10-11H2,1-3H3.
What are the key properties of 1-[(2-methoxyphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol?
1-[(2-methoxyphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol has a molecular weight of 275.35 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol is sourced from PubChem (CID 111468456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).