1-(tert-butylamino)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol

C17H28N2O — CID 115474826

IUPAC1-(tert-butylamino)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
SMILESCC1CCc2ccccc2N1CC(O)CNC(C)(C)C
InChIInChI=1S/C17H28N2O/c1-13-9-10-14-7-5-6-8-16(14)19(13)12-15(20)11-18-17(2,3)4/h5-8,13,15,18,20H,9-12H2,1-4H3
InChIKeyRVKWQDCOQUYKJE-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.58
Rot. Bonds4

About 1-(tert-butylamino)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol

1-(tert-butylamino)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol (PubChem CID 115474826) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
PubChem CID115474826
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(tert-butylamino)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
SMILESCC1CCc2ccccc2N1CC(O)CNC(C)(C)C
InChIInChI=1S/C17H28N2O/c1-13-9-10-14-7-5-6-8-16(14)19(13)12-15(20)11-18-17(2,3)4/h5-8,13,15,18,20H,9-12H2,1-4H3
InChIKeyRVKWQDCOQUYKJE-UHFFFAOYSA-N
XLogP2.58
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

1-[2-(bromomethyl)-3,3-dimethylbutyl]-2-methyl-3,4-dihydro-2H-quinoline
CID 65015824
1-cyclopropyl-N-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 63913854
1-cyclohexyl-N-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 104744540
2-(ethylamino)-2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-ol
CID 64791594
2-methyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-ol
CID 62271455
methyl 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 43089229
3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one
CID 79395357
1-(2-methyl-2,3-dihydroindol-1-yl)pentan-2-ol
CID 62044766
1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropan-2-amine
CID 62489358
N-tert-butyl-2-(2-methyl-2,3-dihydroindol-1-yl)butan-1-amine
CID 62425682
N,2-dimethyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-amine
CID 62262104
1-[4-[(2S)-2-hydroxy-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 51927189

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol (CID 115474826) is 1-(tert-butylamino)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol is CC1CCc2ccccc2N1CC(O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol?
The InChIKey is RVKWQDCOQUYKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-9-10-14-7-5-6-8-16(14)19(13)12-15(20)11-18-17(2,3)4/h5-8,13,15,18,20H,9-12H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol?
1-(tert-butylamino)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol has a molecular weight of 276.42 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 1-(tert-butylamino)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol is sourced from PubChem (CID 115474826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).