3-methoxy-2-[(1-methylindol-3-yl)methylamino]propan-1-ol

C14H20N2O2 — CID 106187372

IUPAC3-methoxy-2-[(1-methylindol-3-yl)methylamino]propan-1-ol
SMILESCOCC(CO)NCc1cn(C)c2ccccc12
InChIInChI=1S/C14H20N2O2/c1-16-8-11(7-15-12(9-17)10-18-2)13-5-3-4-6-14(13)16/h3-6,8,12,15,17H,7,9-10H2,1-2H3
InChIKeyYOBVORONEOFNPT-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.28
Rot. Bonds6

About 3-methoxy-2-[(1-methylindol-3-yl)methylamino]propan-1-ol

3-methoxy-2-[(1-methylindol-3-yl)methylamino]propan-1-ol (PubChem CID 106187372) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-methoxy-2-[(1-methylindol-3-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name3-methoxy-2-[(1-methylindol-3-yl)methylamino]propan-1-ol
PubChem CID106187372
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-methoxy-2-[(1-methylindol-3-yl)methylamino]propan-1-ol
SMILESCOCC(CO)NCc1cn(C)c2ccccc12
InChIInChI=1S/C14H20N2O2/c1-16-8-11(7-15-12(9-17)10-18-2)13-5-3-4-6-14(13)16/h3-6,8,12,15,17H,7,9-10H2,1-2H3
InChIKeyYOBVORONEOFNPT-UHFFFAOYSA-N
XLogP1.28
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-2-[(1-methylindol-3-yl)methylamino]propanamide
CID 107236148
methyl 4-methyl-2-[(1-methylindol-3-yl)methylamino]pentanoate
CID 65067382
N-(2-methoxyethyl)-2-(1-methylindol-3-yl)acetamide
CID 3237946
3-methoxy-2-[(2-methylquinolin-4-yl)methylamino]propan-1-ol
CID 106187151
3-(methoxymethyl)-1-methylindole
CID 18711466
N-[(1-methylindol-3-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 107234778
6-[(1-methylindol-3-yl)methylamino]hexan-1-ol
CID 107849119
N-ethoxy-1-(1-methylindol-3-yl)methanamine
CID 107236064
2-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
CID 107236321
2-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]benzamide
CID 106190626
2-[(1-methylindol-3-yl)methylamino]pentanoic acid
CID 65054985
2-chloro-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
CID 107236179

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(1-methylindol-3-yl)methylamino]propan-1-ol?
The IUPAC name of 3-methoxy-2-[(1-methylindol-3-yl)methylamino]propan-1-ol (CID 106187372) is 3-methoxy-2-[(1-methylindol-3-yl)methylamino]propan-1-ol.
What is the SMILES notation for 3-methoxy-2-[(1-methylindol-3-yl)methylamino]propan-1-ol?
The canonical SMILES for 3-methoxy-2-[(1-methylindol-3-yl)methylamino]propan-1-ol is COCC(CO)NCc1cn(C)c2ccccc12.
What is the InChIKey of 3-methoxy-2-[(1-methylindol-3-yl)methylamino]propan-1-ol?
The InChIKey is YOBVORONEOFNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16-8-11(7-15-12(9-17)10-18-2)13-5-3-4-6-14(13)16/h3-6,8,12,15,17H,7,9-10H2,1-2H3.
What are the key properties of 3-methoxy-2-[(1-methylindol-3-yl)methylamino]propan-1-ol?
3-methoxy-2-[(1-methylindol-3-yl)methylamino]propan-1-ol has a molecular weight of 248.33 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(1-methylindol-3-yl)methylamino]propan-1-ol is sourced from PubChem (CID 106187372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).