3-(1H-indol-4-ylmethylamino)butan-1-ol

C13H18N2O — CID 78997696

IUPAC3-(1H-indol-4-ylmethylamino)butan-1-ol
SMILESCC(CCO)NCc1cccc2[nH]ccc12
InChIInChI=1S/C13H18N2O/c1-10(6-8-16)15-9-11-3-2-4-13-12(11)5-7-14-13/h2-5,7,10,14-16H,6,8-9H2,1H3
InChIKeyNAJXWHVVMVZZKL-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.03
Rot. Bonds5

About 3-(1H-indol-4-ylmethylamino)butan-1-ol

3-(1H-indol-4-ylmethylamino)butan-1-ol (PubChem CID 78997696) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(1H-indol-4-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name3-(1H-indol-4-ylmethylamino)butan-1-ol
PubChem CID78997696
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-(1H-indol-4-ylmethylamino)butan-1-ol
SMILESCC(CCO)NCc1cccc2[nH]ccc12
InChIInChI=1S/C13H18N2O/c1-10(6-8-16)15-9-11-3-2-4-13-12(11)5-7-14-13/h2-5,7,10,14-16H,6,8-9H2,1H3
InChIKeyNAJXWHVVMVZZKL-UHFFFAOYSA-N
XLogP2.03
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-4-ylmethyl)-4-methoxybutan-2-amine
CID 63001738
(2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine
CID 104868036
(1R)-N-(1H-indol-4-ylmethyl)-1-(2-methylphenyl)ethanamine
CID 81373106
(2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol
CID 114985544
N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide
CID 81043314
2-(1H-indol-4-ylmethylamino)ethanol
CID 53269747
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
1-(3,5-dimethylphenyl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 119125336
N-(1H-indol-4-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 62999754
N-(1H-indol-4-ylmethyl)pent-1-yn-3-amine
CID 106224730
1-(1H-indol-4-ylmethylamino)-4-methylpentan-2-ol
CID 110928680
(1R)-N-(1H-indol-4-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81367023

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-4-ylmethylamino)butan-1-ol?
The IUPAC name of 3-(1H-indol-4-ylmethylamino)butan-1-ol (CID 78997696) is 3-(1H-indol-4-ylmethylamino)butan-1-ol.
What is the SMILES notation for 3-(1H-indol-4-ylmethylamino)butan-1-ol?
The canonical SMILES for 3-(1H-indol-4-ylmethylamino)butan-1-ol is CC(CCO)NCc1cccc2[nH]ccc12.
What is the InChIKey of 3-(1H-indol-4-ylmethylamino)butan-1-ol?
The InChIKey is NAJXWHVVMVZZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10(6-8-16)15-9-11-3-2-4-13-12(11)5-7-14-13/h2-5,7,10,14-16H,6,8-9H2,1H3.
What are the key properties of 3-(1H-indol-4-ylmethylamino)butan-1-ol?
3-(1H-indol-4-ylmethylamino)butan-1-ol has a molecular weight of 218.30 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-4-ylmethylamino)butan-1-ol is sourced from PubChem (CID 78997696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).