2-(1H-indol-5-ylamino)-2-methylpropan-1-ol

C12H16N2O — CID 82538440

IUPAC2-(1H-indol-5-ylamino)-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C12H16N2O/c1-12(2,8-15)14-10-3-4-11-9(7-10)5-6-13-11/h3-7,13-15H,8H2,1-2H3
InChIKeyUHAMDLDGEHFANQ-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.35
Rot. Bonds3

About 2-(1H-indol-5-ylamino)-2-methylpropan-1-ol

2-(1H-indol-5-ylamino)-2-methylpropan-1-ol (PubChem CID 82538440) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(1H-indol-5-ylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(1H-indol-5-ylamino)-2-methylpropan-1-ol
PubChem CID82538440
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(1H-indol-5-ylamino)-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C12H16N2O/c1-12(2,8-15)14-10-3-4-11-9(7-10)5-6-13-11/h3-7,13-15H,8H2,1-2H3
InChIKeyUHAMDLDGEHFANQ-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-N-(1H-indol-5-yl)-3-phenylbutanamide
CID 110024564
N-(2-methylpropyl)-1H-indol-5-amine
CID 43204243
N-(2-methoxyethyl)-1H-indol-5-amine
CID 82539811
N-methylsulfanyl-1H-indol-5-amine
CID 143039504
N'-(1-hydroxy-2-methylpropan-2-yl)-N-(1H-indol-6-yl)oxamide
CID 39353331
2-(4-hydroxyphenyl)-N-(1H-indol-5-yl)acetamide
CID 110472843
N-[(4-methylphenyl)methyl]-1H-indol-5-amine
CID 28662234
N-[(4-ethylphenyl)methyl]-1H-indol-5-amine
CID 28546654
N-(4-methylphenyl)-1H-indol-5-amine
CID 58867969
4-(1H-indol-5-ylamino)-4-oxobutanoic acid
CID 54867490
N,N-diethylethanamine;N-methyl-1H-indol-5-amine
CID 142890112
N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1H-indol-5-amine
CID 82538568

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-5-ylamino)-2-methylpropan-1-ol?
The IUPAC name of 2-(1H-indol-5-ylamino)-2-methylpropan-1-ol (CID 82538440) is 2-(1H-indol-5-ylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(1H-indol-5-ylamino)-2-methylpropan-1-ol?
The canonical SMILES for 2-(1H-indol-5-ylamino)-2-methylpropan-1-ol is CC(C)(CO)Nc1ccc2[nH]ccc2c1.
What is the InChIKey of 2-(1H-indol-5-ylamino)-2-methylpropan-1-ol?
The InChIKey is UHAMDLDGEHFANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-12(2,8-15)14-10-3-4-11-9(7-10)5-6-13-11/h3-7,13-15H,8H2,1-2H3.
What are the key properties of 2-(1H-indol-5-ylamino)-2-methylpropan-1-ol?
2-(1H-indol-5-ylamino)-2-methylpropan-1-ol has a molecular weight of 204.27 g/mol, XLogP of 2.35, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-5-ylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 82538440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).