(2S)-1-(furan-2-ylmethylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol

C17H20N2O3 — CID 1490629

IUPAC(2S)-1-(furan-2-ylmethylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
SMILESCc1cc2c(OC[C@@H](O)CNCc3ccco3)cccc2[nH]1
InChIInChI=1S/C17H20N2O3/c1-12-8-15-16(19-12)5-2-6-17(15)22-11-13(20)9-18-10-14-4-3-7-21-14/h2-8,13,18-20H,9-11H2,1H3/t13-/m0/s1
InChIKeyRVSBHWUUPHHHAC-ZDUSSCGKSA-N
MW300.36 g/mol
LogP2.60
Rot. Bonds7

About (2S)-1-(furan-2-ylmethylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol

(2S)-1-(furan-2-ylmethylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol (PubChem CID 1490629) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2S)-1-(furan-2-ylmethylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(furan-2-ylmethylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
PubChem CID1490629
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(2S)-1-(furan-2-ylmethylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
SMILESCc1cc2c(OC[C@@H](O)CNCc3ccco3)cccc2[nH]1
InChIInChI=1S/C17H20N2O3/c1-12-8-15-16(19-12)5-2-6-17(15)22-11-13(20)9-18-10-14-4-3-7-21-14/h2-8,13,18-20H,9-11H2,1H3/t13-/m0/s1
InChIKeyRVSBHWUUPHHHAC-ZDUSSCGKSA-N
XLogP2.60
TPSA70.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(furan-2-ylmethylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol with MolForge

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Related Compounds

1-(3-methoxypropylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
CID 3763936
1-amino-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
CID 163771819
1-(2,3-dichlorophenoxy)-3-(furan-2-ylmethylamino)propan-2-ol
CID 110906839
(2R)-1-(furan-2-ylmethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 41300568
tert-butyl-[(2R)-2-hydroxy-3-[(2-methyl-1H-indol-4-yl)oxy]propyl]azanium
CID 7085884
(2S)-1-(4-chloro-3-methylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol
CID 41300610
1-(furan-2-ylmethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid
CID 18593406
(2R)-1-(furan-2-ylmethylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 7223566
3-[3-(furan-2-ylmethylamino)-2-hydroxypropoxy]benzonitrile
CID 60901515
7-[3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-4-methylchromen-2-one
CID 5045919
3-(2,6-dimethoxyphenoxy)-N-(furan-2-ylmethyl)-2-methylpropan-1-amine
CID 3695807
ethane;4-ethoxy-2-methyl-1H-indole
CID 171088293

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(furan-2-ylmethylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol?
The IUPAC name of (2S)-1-(furan-2-ylmethylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol (CID 1490629) is (2S)-1-(furan-2-ylmethylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol.
What is the SMILES notation for (2S)-1-(furan-2-ylmethylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol?
The canonical SMILES for (2S)-1-(furan-2-ylmethylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol is Cc1cc2c(OC[C@@H](O)CNCc3ccco3)cccc2[nH]1.
What is the InChIKey of (2S)-1-(furan-2-ylmethylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol?
The InChIKey is RVSBHWUUPHHHAC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12-8-15-16(19-12)5-2-6-17(15)22-11-13(20)9-18-10-14-4-3-7-21-14/h2-8,13,18-20H,9-11H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-1-(furan-2-ylmethylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol?
(2S)-1-(furan-2-ylmethylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol has a molecular weight of 300.36 g/mol, XLogP of 2.60, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(furan-2-ylmethylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol is sourced from PubChem (CID 1490629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).