1-(1H-indol-4-ylmethylamino)-2,3-dimethylbutan-2-ol

C15H22N2O — CID 111118493

IUPAC1-(1H-indol-4-ylmethylamino)-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CNCc1cccc2[nH]ccc12
InChIInChI=1S/C15H22N2O/c1-11(2)15(3,18)10-16-9-12-5-4-6-14-13(12)7-8-17-14/h4-8,11,16-18H,9-10H2,1-3H3
InChIKeyYKXWYDQHPBNHLE-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.66
Rot. Bonds5

About 1-(1H-indol-4-ylmethylamino)-2,3-dimethylbutan-2-ol

1-(1H-indol-4-ylmethylamino)-2,3-dimethylbutan-2-ol (PubChem CID 111118493) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(1H-indol-4-ylmethylamino)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(1H-indol-4-ylmethylamino)-2,3-dimethylbutan-2-ol
PubChem CID111118493
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(1H-indol-4-ylmethylamino)-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CNCc1cccc2[nH]ccc12
InChIInChI=1S/C15H22N2O/c1-11(2)15(3,18)10-16-9-12-5-4-6-14-13(12)7-8-17-14/h4-8,11,16-18H,9-10H2,1-3H3
InChIKeyYKXWYDQHPBNHLE-UHFFFAOYSA-N
XLogP2.66
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
2-ethyl-N-(1H-indol-4-ylmethyl)-2-methylsulfanylbutan-1-amine
CID 103702107
1-[(2,3-dimethoxyphenyl)methylamino]-2,3-dimethylbutan-2-ol
CID 111118479
1-(1H-indol-4-ylmethylamino)-4-methylpentan-2-ol
CID 110928680
2-(1H-indol-4-ylmethylamino)ethanol
CID 53269747
3-(1H-indol-4-ylmethylamino)-N-propan-2-ylpropanamide
CID 112688766
2-(2,6-dimethylmorpholin-4-yl)-N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 119109871
2-chloro-3-[(1H-indol-4-ylmethylamino)methyl]phenol
CID 167760392
3-(1H-indol-4-ylmethylamino)butan-1-ol
CID 78997696
(2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine
CID 104868036
N-(1H-indol-4-ylmethyl)propanamide
CID 176935116
1-[(1H-indol-4-ylmethylamino)methyl]cyclobutan-1-ol
CID 111114552

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-ylmethylamino)-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-(1H-indol-4-ylmethylamino)-2,3-dimethylbutan-2-ol (CID 111118493) is 1-(1H-indol-4-ylmethylamino)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(1H-indol-4-ylmethylamino)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(1H-indol-4-ylmethylamino)-2,3-dimethylbutan-2-ol is CC(C)C(C)(O)CNCc1cccc2[nH]ccc12.
What is the InChIKey of 1-(1H-indol-4-ylmethylamino)-2,3-dimethylbutan-2-ol?
The InChIKey is YKXWYDQHPBNHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)15(3,18)10-16-9-12-5-4-6-14-13(12)7-8-17-14/h4-8,11,16-18H,9-10H2,1-3H3.
What are the key properties of 1-(1H-indol-4-ylmethylamino)-2,3-dimethylbutan-2-ol?
1-(1H-indol-4-ylmethylamino)-2,3-dimethylbutan-2-ol has a molecular weight of 246.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-4-ylmethylamino)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 111118493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).