(5-amino-1-propan-2-ylindol-2-yl)methanol

C12H16N2O — CID 117177413

IUPAC(5-amino-1-propan-2-ylindol-2-yl)methanol
SMILESCC(C)n1c(CO)cc2cc(N)ccc21
InChIInChI=1S/C12H16N2O/c1-8(2)14-11(7-15)6-9-5-10(13)3-4-12(9)14/h3-6,8,15H,7,13H2,1-2H3
InChIKeyMCUKPLULEREXEL-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.30
Rot. Bonds2

About (5-amino-1-propan-2-ylindol-2-yl)methanol

(5-amino-1-propan-2-ylindol-2-yl)methanol (PubChem CID 117177413) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (5-amino-1-propan-2-ylindol-2-yl)methanol.

Molecular Properties

Compound Name(5-amino-1-propan-2-ylindol-2-yl)methanol
PubChem CID117177413
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(5-amino-1-propan-2-ylindol-2-yl)methanol
SMILESCC(C)n1c(CO)cc2cc(N)ccc21
InChIInChI=1S/C12H16N2O/c1-8(2)14-11(7-15)6-9-5-10(13)3-4-12(9)14/h3-6,8,15H,7,13H2,1-2H3
InChIKeyMCUKPLULEREXEL-UHFFFAOYSA-N
XLogP2.30
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(dimethylamino)methyl]-1-propan-2-ylindol-5-amine
CID 117177120
2-[(cyclopentylamino)methyl]-1-propan-2-ylindol-5-amine
CID 117177103
2-(ethylaminomethyl)-1-propan-2-ylindol-6-amine
CID 117180819
(5-methoxy-1-propan-2-ylindol-2-yl)methanamine
CID 83860138
1-methyl-2-(propan-2-yloxymethyl)indol-5-amine
CID 117176882
2-(1-propan-2-ylindol-2-yl)ethanamine
CID 83860167
2-(5-fluoro-1-propan-2-ylindol-2-yl)acetic acid
CID 83860165
1-(5-fluoro-1-propan-2-ylindol-2-yl)propan-2-one
CID 117195257
2-(5-chloro-1-propan-2-ylindol-2-yl)acetic acid
CID 117121626
3-(5-bromo-1-propan-2-ylindol-2-yl)propan-1-amine
CID 117121603
5-bromo-2-(methylsulfanylmethyl)-1-propan-2-ylindole
CID 117177401
5-amino-1,3-di(propan-2-yl)benzimidazol-2-one
CID 58811990

Frequently Asked Questions

What is the IUPAC name of (5-amino-1-propan-2-ylindol-2-yl)methanol?
The IUPAC name of (5-amino-1-propan-2-ylindol-2-yl)methanol (CID 117177413) is (5-amino-1-propan-2-ylindol-2-yl)methanol.
What is the SMILES notation for (5-amino-1-propan-2-ylindol-2-yl)methanol?
The canonical SMILES for (5-amino-1-propan-2-ylindol-2-yl)methanol is CC(C)n1c(CO)cc2cc(N)ccc21.
What is the InChIKey of (5-amino-1-propan-2-ylindol-2-yl)methanol?
The InChIKey is MCUKPLULEREXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8(2)14-11(7-15)6-9-5-10(13)3-4-12(9)14/h3-6,8,15H,7,13H2,1-2H3.
What are the key properties of (5-amino-1-propan-2-ylindol-2-yl)methanol?
(5-amino-1-propan-2-ylindol-2-yl)methanol has a molecular weight of 204.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-propan-2-ylindol-2-yl)methanol is sourced from PubChem (CID 117177413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).