3-[(propan-2-ylamino)methyl]-1H-indol-4-ol

C12H16N2O — CID 117171455

IUPAC3-[(propan-2-ylamino)methyl]-1H-indol-4-ol
SMILESCC(C)NCc1c[nH]c2cccc(O)c12
InChIInChI=1S/C12H16N2O/c1-8(2)13-6-9-7-14-10-4-3-5-11(15)12(9)10/h3-5,7-8,13-15H,6H2,1-2H3
InChIKeyGMCBUGOSOXGWSY-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.37
Rot. Bonds3

About 3-[(propan-2-ylamino)methyl]-1H-indol-4-ol

3-[(propan-2-ylamino)methyl]-1H-indol-4-ol (PubChem CID 117171455) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-[(propan-2-ylamino)methyl]-1H-indol-4-ol.

Molecular Properties

Compound Name3-[(propan-2-ylamino)methyl]-1H-indol-4-ol
PubChem CID117171455
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-[(propan-2-ylamino)methyl]-1H-indol-4-ol
SMILESCC(C)NCc1c[nH]c2cccc(O)c12
InChIInChI=1S/C12H16N2O/c1-8(2)13-6-9-7-14-10-4-3-5-11(15)12(9)10/h3-5,7-8,13-15H,6H2,1-2H3
InChIKeyGMCBUGOSOXGWSY-UHFFFAOYSA-N
XLogP2.37
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;hydrochloride
CID 24802096
3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;ethane
CID 163393162
3-[(propan-2-ylamino)methyl]-1H-indole-6-carboxylic acid
CID 117178714
N-(2-aminoethyl)-2-(4-hydroxy-1H-indol-3-yl)acetamide
CID 110833755
(2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol
CID 114985544
3-[(propan-2-ylamino)methyl]-1H-indol-6-amine
CID 117178576
3-[2-(dimethylamino)ethyl]-1H-indol-4-ol;2-hydroxypropanoic acid
CID 175999379
3-[2-(dodecylamino)ethyl]-1H-indol-4-ol
CID 167346455
2-amino-3-(4-hydroxy-1H-indol-3-yl)propanoic acid
CID 589768
3-[2-(azetidin-1-yl)ethyl]-1H-indol-4-ol
CID 166629733
3-[2-(diethylamino)ethyl]-1H-indol-4-ol;hydrochloride
CID 165362448
3-[2-[propan-2-yl(prop-2-enyl)amino]ethyl]-1H-indol-4-ol
CID 166468740

Frequently Asked Questions

What is the IUPAC name of 3-[(propan-2-ylamino)methyl]-1H-indol-4-ol?
The IUPAC name of 3-[(propan-2-ylamino)methyl]-1H-indol-4-ol (CID 117171455) is 3-[(propan-2-ylamino)methyl]-1H-indol-4-ol.
What is the SMILES notation for 3-[(propan-2-ylamino)methyl]-1H-indol-4-ol?
The canonical SMILES for 3-[(propan-2-ylamino)methyl]-1H-indol-4-ol is CC(C)NCc1c[nH]c2cccc(O)c12.
What is the InChIKey of 3-[(propan-2-ylamino)methyl]-1H-indol-4-ol?
The InChIKey is GMCBUGOSOXGWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8(2)13-6-9-7-14-10-4-3-5-11(15)12(9)10/h3-5,7-8,13-15H,6H2,1-2H3.
What are the key properties of 3-[(propan-2-ylamino)methyl]-1H-indol-4-ol?
3-[(propan-2-ylamino)methyl]-1H-indol-4-ol has a molecular weight of 204.27 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(propan-2-ylamino)methyl]-1H-indol-4-ol is sourced from PubChem (CID 117171455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).