2-(ethylamino)-2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-ol

C17H28N2O — CID 64791594

IUPAC2-(ethylamino)-2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-ol
SMILESCCNC(C)(CO)CCN1c2ccccc2CCC1C
InChIInChI=1S/C17H28N2O/c1-4-18-17(3,13-20)11-12-19-14(2)9-10-15-7-5-6-8-16(15)19/h5-8,14,18,20H,4,9-13H2,1-3H3
InChIKeyOFRZUXFMKCYLOC-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.58
Rot. Bonds6

About 2-(ethylamino)-2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-ol

2-(ethylamino)-2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-ol (PubChem CID 64791594) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-ol
PubChem CID64791594
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(ethylamino)-2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-ol
SMILESCCNC(C)(CO)CCN1c2ccccc2CCC1C
InChIInChI=1S/C17H28N2O/c1-4-18-17(3,13-20)11-12-19-14(2)9-10-15-7-5-6-8-16(15)19/h5-8,14,18,20H,4,9-13H2,1-3H3
InChIKeyOFRZUXFMKCYLOC-UHFFFAOYSA-N
XLogP2.58
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-ol?
The IUPAC name of 2-(ethylamino)-2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-ol (CID 64791594) is 2-(ethylamino)-2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-ol is CCNC(C)(CO)CCN1c2ccccc2CCC1C.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-ol?
The InChIKey is OFRZUXFMKCYLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-18-17(3,13-20)11-12-19-14(2)9-10-15-7-5-6-8-16(15)19/h5-8,14,18,20H,4,9-13H2,1-3H3.
What are the key properties of 2-(ethylamino)-2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-ol?
2-(ethylamino)-2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-ol is sourced from PubChem (CID 64791594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).