1-[benzyl(1H-indol-3-ylmethyl)amino]butan-2-ol

C20H24N2O — CID 71677029

IUPAC1-[benzyl(1H-indol-3-ylmethyl)amino]butan-2-ol
SMILESCCC(O)CN(Cc1ccccc1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C20H24N2O/c1-2-18(23)15-22(13-16-8-4-3-5-9-16)14-17-12-21-20-11-7-6-10-19(17)20/h3-12,18,21,23H,2,13-15H2,1H3
InChIKeyLTOUAOJCUILPSO-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.94
Rot. Bonds7

About 1-[benzyl(1H-indol-3-ylmethyl)amino]butan-2-ol

1-[benzyl(1H-indol-3-ylmethyl)amino]butan-2-ol (PubChem CID 71677029) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[benzyl(1H-indol-3-ylmethyl)amino]butan-2-ol.

Molecular Properties

Compound Name1-[benzyl(1H-indol-3-ylmethyl)amino]butan-2-ol
PubChem CID71677029
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-[benzyl(1H-indol-3-ylmethyl)amino]butan-2-ol
SMILESCCC(O)CN(Cc1ccccc1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C20H24N2O/c1-2-18(23)15-22(13-16-8-4-3-5-9-16)14-17-12-21-20-11-7-6-10-19(17)20/h3-12,18,21,23H,2,13-15H2,1H3
InChIKeyLTOUAOJCUILPSO-UHFFFAOYSA-N
XLogP3.94
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[benzyl-[(E)-but-2-enyl]amino]butan-2-ol
CID 13219301
1-[benzyl-(3-fluoro-2-hydroxypropyl)amino]-3-fluoropropan-2-ol
CID 18985341
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
1-[3-aminopropyl(benzyl)amino]butan-2-ol
CID 107367330
(1S,2S)-2-[1H-indol-3-ylmethyl(methyl)amino]-1-phenylpropan-1-ol
CID 101122939
3-[1H-indol-3-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 65067496
N-benzyl-2,2,2-trichloro-N-(1H-indol-3-ylmethyl)acetamide
CID 101373189
N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
CID 142231865
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
2-amino-N-(2-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 114350915
2-ethyl-4-(1H-indol-3-yl)-3-oxobutanoic acid
CID 160676695
1-N-benzyl-3-(1H-indol-3-yl)-1-N-methyl-2-N-tritylpropane-1,2-diamine;ethane
CID 91359287

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(1H-indol-3-ylmethyl)amino]butan-2-ol?
The IUPAC name of 1-[benzyl(1H-indol-3-ylmethyl)amino]butan-2-ol (CID 71677029) is 1-[benzyl(1H-indol-3-ylmethyl)amino]butan-2-ol.
What is the SMILES notation for 1-[benzyl(1H-indol-3-ylmethyl)amino]butan-2-ol?
The canonical SMILES for 1-[benzyl(1H-indol-3-ylmethyl)amino]butan-2-ol is CCC(O)CN(Cc1ccccc1)Cc1c[nH]c2ccccc12.
What is the InChIKey of 1-[benzyl(1H-indol-3-ylmethyl)amino]butan-2-ol?
The InChIKey is LTOUAOJCUILPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-2-18(23)15-22(13-16-8-4-3-5-9-16)14-17-12-21-20-11-7-6-10-19(17)20/h3-12,18,21,23H,2,13-15H2,1H3.
What are the key properties of 1-[benzyl(1H-indol-3-ylmethyl)amino]butan-2-ol?
1-[benzyl(1H-indol-3-ylmethyl)amino]butan-2-ol has a molecular weight of 308.43 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(1H-indol-3-ylmethyl)amino]butan-2-ol is sourced from PubChem (CID 71677029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).