2-[(1,2-dimethylindol-3-yl)methylamino]propan-1-ol

C14H20N2O — CID 82475346

IUPAC2-[(1,2-dimethylindol-3-yl)methylamino]propan-1-ol
SMILESCc1c(CNC(C)CO)c2ccccc2n1C
InChIInChI=1S/C14H20N2O/c1-10(9-17)15-8-13-11(2)16(3)14-7-5-4-6-12(13)14/h4-7,10,15,17H,8-9H2,1-3H3
InChIKeyNWELOSQDCXUOOZ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.96
Rot. Bonds4

About 2-[(1,2-dimethylindol-3-yl)methylamino]propan-1-ol

2-[(1,2-dimethylindol-3-yl)methylamino]propan-1-ol (PubChem CID 82475346) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[(1,2-dimethylindol-3-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(1,2-dimethylindol-3-yl)methylamino]propan-1-ol
PubChem CID82475346
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[(1,2-dimethylindol-3-yl)methylamino]propan-1-ol
SMILESCc1c(CNC(C)CO)c2ccccc2n1C
InChIInChI=1S/C14H20N2O/c1-10(9-17)15-8-13-11(2)16(3)14-7-5-4-6-12(13)14/h4-7,10,15,17H,8-9H2,1-3H3
InChIKeyNWELOSQDCXUOOZ-UHFFFAOYSA-N
XLogP1.96
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(1,2-dimethylindol-3-yl)methyl]-2,2-dimethylpropanamide
CID 110782396
2-(1,2-dimethylindol-3-yl)acetamide
CID 67627690
2-[(1,3-dimethylindol-2-yl)methylamino]butan-1-ol
CID 107234805
3-[(1,3-dimethylindol-2-yl)methylamino]-2-methylbutan-1-ol
CID 107236217
2-[(1,3-dimethylindol-2-yl)methylamino]propane-1,3-diol
CID 107235824
2-(naphthalen-1-ylmethylamino)propan-1-ol
CID 43499773
3-[(1-hydroxypropan-2-ylamino)methyl]-1-benzothiophene-2-carboxylic acid
CID 103238301
2,3-bis(1,2-dimethylindol-3-yl)propan-1-amine
CID 112539162
N-[(1,2-dimethylindol-3-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110782421
ethane;tris(ethane-1,1-diol);tris(1,2,3-trimethylindole)
CID 160660144
N-[(1,2-dimethylindol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110782446
1-(1,2-dimethylindol-3-yl)-2-(ethylamino)propan-1-one
CID 82294422

Frequently Asked Questions

What is the IUPAC name of 2-[(1,2-dimethylindol-3-yl)methylamino]propan-1-ol?
The IUPAC name of 2-[(1,2-dimethylindol-3-yl)methylamino]propan-1-ol (CID 82475346) is 2-[(1,2-dimethylindol-3-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2-[(1,2-dimethylindol-3-yl)methylamino]propan-1-ol?
The canonical SMILES for 2-[(1,2-dimethylindol-3-yl)methylamino]propan-1-ol is Cc1c(CNC(C)CO)c2ccccc2n1C.
What is the InChIKey of 2-[(1,2-dimethylindol-3-yl)methylamino]propan-1-ol?
The InChIKey is NWELOSQDCXUOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(9-17)15-8-13-11(2)16(3)14-7-5-4-6-12(13)14/h4-7,10,15,17H,8-9H2,1-3H3.
What are the key properties of 2-[(1,2-dimethylindol-3-yl)methylamino]propan-1-ol?
2-[(1,2-dimethylindol-3-yl)methylamino]propan-1-ol has a molecular weight of 232.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,2-dimethylindol-3-yl)methylamino]propan-1-ol is sourced from PubChem (CID 82475346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).