2-(furan-2-ylmethylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol

C16H21NO3 — CID 82313778

IUPAC2-(furan-2-ylmethylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol
SMILESCOc1ccc(C(O)C(C)NCc2ccco2)cc1C
InChIInChI=1S/C16H21NO3/c1-11-9-13(6-7-15(11)19-3)16(18)12(2)17-10-14-5-4-8-20-14/h4-9,12,16-18H,10H2,1-3H3
InChIKeyAVCWLCULZCYTCA-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.81
Rot. Bonds6

About 2-(furan-2-ylmethylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol

2-(furan-2-ylmethylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol (PubChem CID 82313778) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol
PubChem CID82313778
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-(furan-2-ylmethylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol
SMILESCOc1ccc(C(O)C(C)NCc2ccco2)cc1C
InChIInChI=1S/C16H21NO3/c1-11-9-13(6-7-15(11)19-3)16(18)12(2)17-10-14-5-4-8-20-14/h4-9,12,16-18H,10H2,1-3H3
InChIKeyAVCWLCULZCYTCA-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-ylmethylamino)-1-(3-methoxyphenyl)propan-1-ol
CID 82314231
1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)propan-1-ol
CID 82312968
1-(4-methoxy-3-methylphenyl)-2-(3-methylbutylamino)propan-1-ol
CID 82313799
N-ethyl-2-(furan-2-yl)-1-(4-methoxy-3-methylphenyl)ethanamine
CID 83183271
1-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)ethanamine
CID 24704421
N-(furan-2-ylmethyl)-4-methoxy-3-methylaniline
CID 61059640
1-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine
CID 43200433
3-(furan-2-yl)-2-(4-methoxy-3-methylphenyl)propanenitrile
CID 82084685
N-(furan-2-ylmethyl)-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
CID 43514878
2-(3-ethoxypropylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol
CID 82313794
(2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine
CID 28608389
2-(2-methoxyethylamino)-1-(4-methoxy-3-methylphenyl)-3-methylbutan-1-ol
CID 82313839

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol?
The IUPAC name of 2-(furan-2-ylmethylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol (CID 82313778) is 2-(furan-2-ylmethylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(furan-2-ylmethylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol is COc1ccc(C(O)C(C)NCc2ccco2)cc1C.
What is the InChIKey of 2-(furan-2-ylmethylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol?
The InChIKey is AVCWLCULZCYTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-9-13(6-7-15(11)19-3)16(18)12(2)17-10-14-5-4-8-20-14/h4-9,12,16-18H,10H2,1-3H3.
What are the key properties of 2-(furan-2-ylmethylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol?
2-(furan-2-ylmethylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol has a molecular weight of 275.35 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol is sourced from PubChem (CID 82313778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).