1-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]ethanol

C15H22N2O — CID 83944930

IUPAC1-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]ethanol
SMILESCc1ccc(C)c2c1c(C(C)O)cn2CCCN
InChIInChI=1S/C15H22N2O/c1-10-5-6-11(2)15-14(10)13(12(3)18)9-17(15)8-4-7-16/h5-6,9,12,18H,4,7-8,16H2,1-3H3
InChIKeyPHNXGRJPQYCGMF-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.66
Rot. Bonds4

About 1-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]ethanol

1-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]ethanol (PubChem CID 83944930) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]ethanol
PubChem CID83944930
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]ethanol
SMILESCc1ccc(C)c2c1c(C(C)O)cn2CCCN
InChIInChI=1S/C15H22N2O/c1-10-5-6-11(2)15-14(10)13(12(3)18)9-17(15)8-4-7-16/h5-6,9,12,18H,4,7-8,16H2,1-3H3
InChIKeyPHNXGRJPQYCGMF-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-butyl-4,7-dimethylindol-3-yl)ethanol
CID 83944914
1-[1-(3-aminopropyl)-4,6-dimethylindol-3-yl]ethanol
CID 83944872
3-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]propan-1-ol
CID 83944932
3-(4,7-dimethyl-3-propylindol-1-yl)propan-1-amine
CID 83948548
1-(3-aminopropyl)-3-(1-hydroxyethyl)indole-7-carboxylic acid
CID 83945440
2-amino-1-(1,4,7-trimethylindol-3-yl)ethanol
CID 82493670
1-(2-aminoethyl)-3-(1-hydroxyethyl)-6-methylindole-7-carboxylic acid
CID 83946424
2-(1,4,7-trimethylindol-3-yl)propan-1-amine
CID 82493196
1-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanol
CID 83944817
1-(2-aminoethyl)-3-(1-hydroxyethyl)-7-methylindole-5-carboxylic acid
CID 83946012
3-(1-hydroxyethyl)-1-(2-hydroxyethyl)-4,7-dimethylindole-5-carboxylic acid
CID 83946883
3-(5-methyl-3-propan-2-ylindol-1-yl)propan-1-amine
CID 83948737

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]ethanol?
The IUPAC name of 1-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]ethanol (CID 83944930) is 1-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]ethanol.
What is the SMILES notation for 1-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]ethanol?
The canonical SMILES for 1-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]ethanol is Cc1ccc(C)c2c1c(C(C)O)cn2CCCN.
What is the InChIKey of 1-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]ethanol?
The InChIKey is PHNXGRJPQYCGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-5-6-11(2)15-14(10)13(12(3)18)9-17(15)8-4-7-16/h5-6,9,12,18H,4,7-8,16H2,1-3H3.
What are the key properties of 1-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]ethanol?
1-[1-(3-aminopropyl)-4,7-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)-4,7-dimethylindol-3-yl]ethanol is sourced from PubChem (CID 83944930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).