1-[ethyl(furan-3-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol

C17H23NO3 — CID 110922574

IUPAC1-[ethyl(furan-3-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCCN(Cc1ccoc1)CC(O)COc1ccccc1C
InChIInChI=1S/C17H23NO3/c1-3-18(10-15-8-9-20-12-15)11-16(19)13-21-17-7-5-4-6-14(17)2/h4-9,12,16,19H,3,10-11,13H2,1-2H3
InChIKeyVJGBNZKBYAJHOL-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.85
Rot. Bonds8

About 1-[ethyl(furan-3-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol

1-[ethyl(furan-3-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 110922574) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[ethyl(furan-3-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[ethyl(furan-3-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
PubChem CID110922574
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name1-[ethyl(furan-3-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCCN(Cc1ccoc1)CC(O)COc1ccccc1C
InChIInChI=1S/C17H23NO3/c1-3-18(10-15-8-9-20-12-15)11-16(19)13-21-17-7-5-4-6-14(17)2/h4-9,12,16,19H,3,10-11,13H2,1-2H3
InChIKeyVJGBNZKBYAJHOL-UHFFFAOYSA-N
XLogP2.85
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[benzyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93161495
(2R)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93163727
(2R)-1-[benzyl(furan-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 2502652
1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 2915985
1-(2-methylphenoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol
CID 24717275
(2S)-1-[butyl(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 95231993
1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 3843080
1-(2-chlorophenoxy)-3-[ethyl-[(2-methylphenyl)methyl]amino]propan-2-ol
CID 112820795
(2S)-1-[benzyl(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93164463
1-[benzyl-[(3-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007957
(2S)-1-[benzyl-[(3-fluorophenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93164915
N-[[2-(2,2-diethoxyethoxy)phenyl]methyl]-N-(furan-3-ylmethyl)ethanamine
CID 91649944

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(furan-3-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[ethyl(furan-3-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol (CID 110922574) is 1-[ethyl(furan-3-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[ethyl(furan-3-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[ethyl(furan-3-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol is CCN(Cc1ccoc1)CC(O)COc1ccccc1C.
What is the InChIKey of 1-[ethyl(furan-3-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is VJGBNZKBYAJHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-3-18(10-15-8-9-20-12-15)11-16(19)13-21-17-7-5-4-6-14(17)2/h4-9,12,16,19H,3,10-11,13H2,1-2H3.
What are the key properties of 1-[ethyl(furan-3-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol?
1-[ethyl(furan-3-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 289.38 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(furan-3-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 110922574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).