1-[1-(3-aminopropyl)-4,6-dimethylindol-3-yl]ethanol

C15H22N2O — CID 83944872

IUPAC1-[1-(3-aminopropyl)-4,6-dimethylindol-3-yl]ethanol
SMILESCc1cc(C)c2c(C(C)O)cn(CCCN)c2c1
InChIInChI=1S/C15H22N2O/c1-10-7-11(2)15-13(12(3)18)9-17(6-4-5-16)14(15)8-10/h7-9,12,18H,4-6,16H2,1-3H3
InChIKeyXUZZVLDBJWXZQR-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.66
Rot. Bonds4

About 1-[1-(3-aminopropyl)-4,6-dimethylindol-3-yl]ethanol

1-[1-(3-aminopropyl)-4,6-dimethylindol-3-yl]ethanol (PubChem CID 83944872) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[1-(3-aminopropyl)-4,6-dimethylindol-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(3-aminopropyl)-4,6-dimethylindol-3-yl]ethanol
PubChem CID83944872
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[1-(3-aminopropyl)-4,6-dimethylindol-3-yl]ethanol
SMILESCc1cc(C)c2c(C(C)O)cn(CCCN)c2c1
InChIInChI=1S/C15H22N2O/c1-10-7-11(2)15-13(12(3)18)9-17(6-4-5-16)14(15)8-10/h7-9,12,18H,4-6,16H2,1-3H3
InChIKeyXUZZVLDBJWXZQR-UHFFFAOYSA-N
XLogP2.66
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]ethanol
CID 83944930
3-[4,6-dimethyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine
CID 83948930
3-(5-methyl-3-propan-2-ylindol-1-yl)propan-1-amine
CID 83948737
1-(3-aminopropyl)-5-methyl-3-propan-2-ylindole-6-carboxylic acid
CID 83963567
1-(1-butyl-4,7-dimethylindol-3-yl)ethanol
CID 83944914
1-(1-butyl-6-chloroindol-3-yl)ethanol
CID 83945241
1-[1-(2-aminoethyl)-5-tert-butylindol-3-yl]ethanol
CID 83945111
3-(5,7-dimethylindol-1-yl)propan-1-amine
CID 82491687
1-(3-aminopropyl)-3-(1-hydroxyethyl)indole-7-carboxylic acid
CID 83945440
3-[1-(3-aminopropyl)-5,7-dimethylindol-3-yl]propan-1-ol
CID 83944989
2-[1-(3-aminopropyl)-5,6-dimethylindol-3-yl]acetic acid
CID 83944371
3-(3-ethyl-5,6-dimethylindol-1-yl)propan-1-amine
CID 83948289

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-aminopropyl)-4,6-dimethylindol-3-yl]ethanol?
The IUPAC name of 1-[1-(3-aminopropyl)-4,6-dimethylindol-3-yl]ethanol (CID 83944872) is 1-[1-(3-aminopropyl)-4,6-dimethylindol-3-yl]ethanol.
What is the SMILES notation for 1-[1-(3-aminopropyl)-4,6-dimethylindol-3-yl]ethanol?
The canonical SMILES for 1-[1-(3-aminopropyl)-4,6-dimethylindol-3-yl]ethanol is Cc1cc(C)c2c(C(C)O)cn(CCCN)c2c1.
What is the InChIKey of 1-[1-(3-aminopropyl)-4,6-dimethylindol-3-yl]ethanol?
The InChIKey is XUZZVLDBJWXZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-7-11(2)15-13(12(3)18)9-17(6-4-5-16)14(15)8-10/h7-9,12,18H,4-6,16H2,1-3H3.
What are the key properties of 1-[1-(3-aminopropyl)-4,6-dimethylindol-3-yl]ethanol?
1-[1-(3-aminopropyl)-4,6-dimethylindol-3-yl]ethanol has a molecular weight of 246.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-aminopropyl)-4,6-dimethylindol-3-yl]ethanol is sourced from PubChem (CID 83944872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).