2-[3-(1-aminopropan-2-yl)-2-methylindol-1-yl]-1-(diethylamino)ethanol

C18H29N3O — CID 170894895

IUPAC2-[3-(1-aminopropan-2-yl)-2-methylindol-1-yl]-1-(diethylamino)ethanol
SMILESCCN(CC)C(O)Cn1c(C)c(C(C)CN)c2ccccc21
InChIInChI=1S/C18H29N3O/c1-5-20(6-2)17(22)12-21-14(4)18(13(3)11-19)15-9-7-8-10-16(15)21/h7-10,13,17,22H,5-6,11-12,19H2,1-4H3
InChIKeyMNKFZWOGBQRNEW-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.67
Rot. Bonds7

About 2-[3-(1-aminopropan-2-yl)-2-methylindol-1-yl]-1-(diethylamino)ethanol

2-[3-(1-aminopropan-2-yl)-2-methylindol-1-yl]-1-(diethylamino)ethanol (PubChem CID 170894895) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-[3-(1-aminopropan-2-yl)-2-methylindol-1-yl]-1-(diethylamino)ethanol.

Molecular Properties

Compound Name2-[3-(1-aminopropan-2-yl)-2-methylindol-1-yl]-1-(diethylamino)ethanol
PubChem CID170894895
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name2-[3-(1-aminopropan-2-yl)-2-methylindol-1-yl]-1-(diethylamino)ethanol
SMILESCCN(CC)C(O)Cn1c(C)c(C(C)CN)c2ccccc21
InChIInChI=1S/C18H29N3O/c1-5-20(6-2)17(22)12-21-14(4)18(13(3)11-19)15-9-7-8-10-16(15)21/h7-10,13,17,22H,5-6,11-12,19H2,1-4H3
InChIKeyMNKFZWOGBQRNEW-UHFFFAOYSA-N
XLogP2.67
TPSA54.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(diethylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 708303
(1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol
CID 95438701
2-[3-(1,2-diaminoethyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanol
CID 170894894
3-carbazol-9-yl-2-fluoropropan-1-amine
CID 83854127
1-carbazol-9-ylpropan-2-amine
CID 21430322
2-methyl-3-propan-2-yl-1-[(2-propylphenyl)methyl]indole
CID 142538939
3-amino-1-(9-ethylcarbazol-3-yl)propane-1,2-diol
CID 170829191
2-methyl-1-(2-methylbutyl)indole-3-sulfonyl chloride
CID 82696122
2-(1H-tetrazolo[1,5-a]indol-4-yl)propan-1-amine
CID 83886692
3-carbazol-9-yl-N,N-diethyl-2-methylpropan-1-amine
CID 100978350
2-(5-ethyl-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495226
2-(7-chloro-1,2-dimethylindol-3-yl)propan-1-amine
CID 82496910

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminopropan-2-yl)-2-methylindol-1-yl]-1-(diethylamino)ethanol?
The IUPAC name of 2-[3-(1-aminopropan-2-yl)-2-methylindol-1-yl]-1-(diethylamino)ethanol (CID 170894895) is 2-[3-(1-aminopropan-2-yl)-2-methylindol-1-yl]-1-(diethylamino)ethanol.
What is the SMILES notation for 2-[3-(1-aminopropan-2-yl)-2-methylindol-1-yl]-1-(diethylamino)ethanol?
The canonical SMILES for 2-[3-(1-aminopropan-2-yl)-2-methylindol-1-yl]-1-(diethylamino)ethanol is CCN(CC)C(O)Cn1c(C)c(C(C)CN)c2ccccc21.
What is the InChIKey of 2-[3-(1-aminopropan-2-yl)-2-methylindol-1-yl]-1-(diethylamino)ethanol?
The InChIKey is MNKFZWOGBQRNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-5-20(6-2)17(22)12-21-14(4)18(13(3)11-19)15-9-7-8-10-16(15)21/h7-10,13,17,22H,5-6,11-12,19H2,1-4H3.
What are the key properties of 2-[3-(1-aminopropan-2-yl)-2-methylindol-1-yl]-1-(diethylamino)ethanol?
2-[3-(1-aminopropan-2-yl)-2-methylindol-1-yl]-1-(diethylamino)ethanol has a molecular weight of 303.45 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminopropan-2-yl)-2-methylindol-1-yl]-1-(diethylamino)ethanol is sourced from PubChem (CID 170894895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).