2-(cyclopropylmethyl)-6-ethoxy-1,2,3,4-tetrahydroquinolin-3-ol

C15H21NO2 — CID 164664284

IUPAC2-(cyclopropylmethyl)-6-ethoxy-1,2,3,4-tetrahydroquinolin-3-ol
SMILESCCOc1ccc2c(c1)CC(O)C(CC1CC1)N2
InChIInChI=1S/C15H21NO2/c1-2-18-12-5-6-13-11(8-12)9-15(17)14(16-13)7-10-3-4-10/h5-6,8,10,14-17H,2-4,7,9H2,1H3
InChIKeySQUHYGNCXAVJTM-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.58
Rot. Bonds4

About 2-(cyclopropylmethyl)-6-ethoxy-1,2,3,4-tetrahydroquinolin-3-ol

2-(cyclopropylmethyl)-6-ethoxy-1,2,3,4-tetrahydroquinolin-3-ol (PubChem CID 164664284) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-6-ethoxy-1,2,3,4-tetrahydroquinolin-3-ol.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-6-ethoxy-1,2,3,4-tetrahydroquinolin-3-ol
PubChem CID164664284
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(cyclopropylmethyl)-6-ethoxy-1,2,3,4-tetrahydroquinolin-3-ol
SMILESCCOc1ccc2c(c1)CC(O)C(CC1CC1)N2
InChIInChI=1S/C15H21NO2/c1-2-18-12-5-6-13-11(8-12)9-15(17)14(16-13)7-10-3-4-10/h5-6,8,10,14-17H,2-4,7,9H2,1H3
InChIKeySQUHYGNCXAVJTM-UHFFFAOYSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-ethoxy-2-methyl-2,3-dihydro-1H-indole
CID 21441430
5-ethoxy-2-(2-methylphenyl)-2,3-dihydro-1H-indole
CID 4656228
2-(2,5-dimethylthiophen-3-yl)-5-ethoxy-2,3-dihydro-1H-indole
CID 4657849
ethyl 5-butoxy-2,3-dihydro-1H-indole-2-carboxylate
CID 66821777
3-tert-butyl-6-ethoxy-1,2,3,4-tetrahydroquinoline
CID 55184388
5-ethoxy-2,3-dihydro-1H-inden-2-amine
CID 90944154
5-ethoxy-2-(2-methoxy-5-methylphenyl)-2,3-dihydro-1H-indole
CID 4271065
2-(4-ethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 4657850
5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylic acid
CID 174490296
6-ethoxy-2-[4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849675
3-[(3aR,4R,9bR)-8-ethoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol
CID 102513448
(1R,2R)-2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-ol
CID 12051572

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-6-ethoxy-1,2,3,4-tetrahydroquinolin-3-ol?
The IUPAC name of 2-(cyclopropylmethyl)-6-ethoxy-1,2,3,4-tetrahydroquinolin-3-ol (CID 164664284) is 2-(cyclopropylmethyl)-6-ethoxy-1,2,3,4-tetrahydroquinolin-3-ol.
What is the SMILES notation for 2-(cyclopropylmethyl)-6-ethoxy-1,2,3,4-tetrahydroquinolin-3-ol?
The canonical SMILES for 2-(cyclopropylmethyl)-6-ethoxy-1,2,3,4-tetrahydroquinolin-3-ol is CCOc1ccc2c(c1)CC(O)C(CC1CC1)N2.
What is the InChIKey of 2-(cyclopropylmethyl)-6-ethoxy-1,2,3,4-tetrahydroquinolin-3-ol?
The InChIKey is SQUHYGNCXAVJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-18-12-5-6-13-11(8-12)9-15(17)14(16-13)7-10-3-4-10/h5-6,8,10,14-17H,2-4,7,9H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-6-ethoxy-1,2,3,4-tetrahydroquinolin-3-ol?
2-(cyclopropylmethyl)-6-ethoxy-1,2,3,4-tetrahydroquinolin-3-ol has a molecular weight of 247.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-6-ethoxy-1,2,3,4-tetrahydroquinolin-3-ol is sourced from PubChem (CID 164664284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).