3-(1H-indol-4-ylmethylamino)-4-methoxy-3-methylbutan-1-ol

C15H22N2O2 — CID 111824960

IUPAC3-(1H-indol-4-ylmethylamino)-4-methoxy-3-methylbutan-1-ol
SMILESCOCC(C)(CCO)NCc1cccc2[nH]ccc12
InChIInChI=1S/C15H22N2O2/c1-15(7-9-18,11-19-2)17-10-12-4-3-5-14-13(12)6-8-16-14/h3-6,8,16-18H,7,9-11H2,1-2H3
InChIKeyOLCWGHJBTJZZKE-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.05
Rot. Bonds7

About 3-(1H-indol-4-ylmethylamino)-4-methoxy-3-methylbutan-1-ol

3-(1H-indol-4-ylmethylamino)-4-methoxy-3-methylbutan-1-ol (PubChem CID 111824960) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(1H-indol-4-ylmethylamino)-4-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-(1H-indol-4-ylmethylamino)-4-methoxy-3-methylbutan-1-ol
PubChem CID111824960
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(1H-indol-4-ylmethylamino)-4-methoxy-3-methylbutan-1-ol
SMILESCOCC(C)(CCO)NCc1cccc2[nH]ccc12
InChIInChI=1S/C15H22N2O2/c1-15(7-9-18,11-19-2)17-10-12-4-3-5-14-13(12)6-8-16-14/h3-6,8,16-18H,7,9-11H2,1-2H3
InChIKeyOLCWGHJBTJZZKE-UHFFFAOYSA-N
XLogP2.05
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-4-methoxy-3-methylbutan-1-ol
CID 97086982
2-(1H-indol-4-ylmethylamino)ethanol
CID 53269747
3-(1H-indol-4-ylmethylamino)butan-1-ol
CID 78997696
N-(1H-indol-4-ylmethyl)-2-(2-methoxyethyl)aniline
CID 102847657
(3S)-3-[(2-bromo-4-methylphenyl)methylamino]-4-methoxy-3-methylbutan-1-ol
CID 97326368
4-methoxy-3-methyl-3-[(3-phenylphenyl)methylamino]butan-1-ol
CID 111825010
3-methyl-3-(naphthalen-1-ylmethylamino)pentan-1-ol
CID 103774843
4-(2-methylbut-2-enyl)-1H-indole
CID 141009102
(1R)-N-(1H-indol-4-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81367023
N-(1H-indol-4-ylmethyl)-4-methoxybutan-2-amine
CID 63001738
N-(1H-indol-4-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 63001392
1-(1H-indol-4-ylmethylamino)-2,3-dimethylbutan-2-ol
CID 111118493

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-4-ylmethylamino)-4-methoxy-3-methylbutan-1-ol?
The IUPAC name of 3-(1H-indol-4-ylmethylamino)-4-methoxy-3-methylbutan-1-ol (CID 111824960) is 3-(1H-indol-4-ylmethylamino)-4-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 3-(1H-indol-4-ylmethylamino)-4-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 3-(1H-indol-4-ylmethylamino)-4-methoxy-3-methylbutan-1-ol is COCC(C)(CCO)NCc1cccc2[nH]ccc12.
What is the InChIKey of 3-(1H-indol-4-ylmethylamino)-4-methoxy-3-methylbutan-1-ol?
The InChIKey is OLCWGHJBTJZZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(7-9-18,11-19-2)17-10-12-4-3-5-14-13(12)6-8-16-14/h3-6,8,16-18H,7,9-11H2,1-2H3.
What are the key properties of 3-(1H-indol-4-ylmethylamino)-4-methoxy-3-methylbutan-1-ol?
3-(1H-indol-4-ylmethylamino)-4-methoxy-3-methylbutan-1-ol has a molecular weight of 262.35 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-4-ylmethylamino)-4-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 111824960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).