3-(dimethylamino)-3-(2-methyl-1H-indol-3-yl)propan-1-ol

C14H20N2O — CID 116907669

IUPAC3-(dimethylamino)-3-(2-methyl-1H-indol-3-yl)propan-1-ol
SMILESCc1[nH]c2ccccc2c1C(CCO)N(C)C
InChIInChI=1S/C14H20N2O/c1-10-14(13(8-9-17)16(2)3)11-6-4-5-7-12(11)15-10/h4-7,13,15,17H,8-9H2,1-3H3
InChIKeyZDXZLMHKZPJKAH-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.46
Rot. Bonds4

About 3-(dimethylamino)-3-(2-methyl-1H-indol-3-yl)propan-1-ol

3-(dimethylamino)-3-(2-methyl-1H-indol-3-yl)propan-1-ol (PubChem CID 116907669) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(dimethylamino)-3-(2-methyl-1H-indol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-3-(2-methyl-1H-indol-3-yl)propan-1-ol
PubChem CID116907669
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-(dimethylamino)-3-(2-methyl-1H-indol-3-yl)propan-1-ol
SMILESCc1[nH]c2ccccc2c1C(CCO)N(C)C
InChIInChI=1S/C14H20N2O/c1-10-14(13(8-9-17)16(2)3)11-6-4-5-7-12(11)15-10/h4-7,13,15,17H,8-9H2,1-3H3
InChIKeyZDXZLMHKZPJKAH-UHFFFAOYSA-N
XLogP2.46
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N,N'-trimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
CID 116905269
4-amino-4-(2-methyl-1H-indol-3-yl)butan-1-ol
CID 116861434
1-N,1-N-dimethyl-1-(2-methyl-1H-indol-3-yl)propane-1,2-diamine
CID 82289370
1-(2-methyl-1H-indol-3-yl)propane-1,2,3-triol
CID 170819227
2-(dimethylamino)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 116914751
1-(2-methyl-1H-indol-3-yl)-2-sulfanylethanol
CID 116830002
N',N'-dimethyl-2-(2-methyl-1H-indol-3-yl)propanehydrazide
CID 116848101
3-(2-methyl-1H-indol-3-yl)butan-1-amine
CID 82397034
N-ethyl-1-(2-methyl-1H-indol-3-yl)ethanamine
CID 65333195
4-(2-methyl-1H-indol-3-yl)octan-2-one
CID 102114646
(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 131198811
4-[dimethylamino-(2-methyl-1H-indol-3-yl)methyl]benzoic acid
CID 110453404

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-(2-methyl-1H-indol-3-yl)propan-1-ol?
The IUPAC name of 3-(dimethylamino)-3-(2-methyl-1H-indol-3-yl)propan-1-ol (CID 116907669) is 3-(dimethylamino)-3-(2-methyl-1H-indol-3-yl)propan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-3-(2-methyl-1H-indol-3-yl)propan-1-ol?
The canonical SMILES for 3-(dimethylamino)-3-(2-methyl-1H-indol-3-yl)propan-1-ol is Cc1[nH]c2ccccc2c1C(CCO)N(C)C.
What is the InChIKey of 3-(dimethylamino)-3-(2-methyl-1H-indol-3-yl)propan-1-ol?
The InChIKey is ZDXZLMHKZPJKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-14(13(8-9-17)16(2)3)11-6-4-5-7-12(11)15-10/h4-7,13,15,17H,8-9H2,1-3H3.
What are the key properties of 3-(dimethylamino)-3-(2-methyl-1H-indol-3-yl)propan-1-ol?
3-(dimethylamino)-3-(2-methyl-1H-indol-3-yl)propan-1-ol has a molecular weight of 232.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-(2-methyl-1H-indol-3-yl)propan-1-ol is sourced from PubChem (CID 116907669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).