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

C12H16N2O — CID 116859564

IUPAC1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol
SMILESCc1[nH]c2ccccc2c1C(N)C(C)O
InChIInChI=1S/C12H16N2O/c1-7-11(12(13)8(2)15)9-5-3-4-6-10(9)14-7/h3-6,8,12,14-15H,13H2,1-2H3
InChIKeyPKVVEDVFDCCZIB-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.86
Rot. Bonds2

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

1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol (PubChem CID 116859564) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol
PubChem CID116859564
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol
SMILESCc1[nH]c2ccccc2c1C(N)C(C)O
InChIInChI=1S/C12H16N2O/c1-7-11(12(13)8(2)15)9-5-3-4-6-10(9)14-7/h3-6,8,12,14-15H,13H2,1-2H3
InChIKeyPKVVEDVFDCCZIB-UHFFFAOYSA-N
XLogP1.86
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-(2-methyl-1H-indol-3-yl)acetamide
CID 116850760
(1S)-2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 131384165
(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 131198811
1-N,1-N-dimethyl-1-(2-methyl-1H-indol-3-yl)propane-1,2-diamine
CID 82289370
(1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine
CID 171206865
1-(2-methyl-1H-indol-3-yl)-2-sulfanylethanol
CID 116830002
(1R)-2,2,2-trifluoro-1-(2-methyl-1H-indol-3-yl)ethanamine
CID 95447779
1-(2-methyl-1H-indol-3-yl)propane-1,2,3-triol
CID 170819227
3-(2-methyl-1H-indol-3-yl)butan-1-amine
CID 82397034
1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine
CID 116830290
4-amino-4-(2-methyl-1H-indol-3-yl)butan-1-ol
CID 116861434
methyl (2S)-2-amino-2-(2-methyl-1H-indol-3-yl)acetate;hydrochloride
CID 171206867

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol?
The IUPAC name of 1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol (CID 116859564) is 1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol.
What is the SMILES notation for 1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol?
The canonical SMILES for 1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol is Cc1[nH]c2ccccc2c1C(N)C(C)O.
What is the InChIKey of 1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol?
The InChIKey is PKVVEDVFDCCZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-7-11(12(13)8(2)15)9-5-3-4-6-10(9)14-7/h3-6,8,12,14-15H,13H2,1-2H3.
What are the key properties of 1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol?
1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol has a molecular weight of 204.27 g/mol, XLogP of 1.86, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol is sourced from PubChem (CID 116859564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).