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

C16H25NO — CID 62271455

IUPAC2-methyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-ol
SMILESCCC(C)(CO)CN1c2ccccc2CCC1C
InChIInChI=1S/C16H25NO/c1-4-16(3,12-18)11-17-13(2)9-10-14-7-5-6-8-15(14)17/h5-8,13,18H,4,9-12H2,1-3H3
InChIKeyHXZBIKURAQBYPJ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.24
Rot. Bonds4

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

2-methyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-ol (PubChem CID 62271455) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-methyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-ol
PubChem CID62271455
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-methyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-ol
SMILESCCC(C)(CO)CN1c2ccccc2CCC1C
InChIInChI=1S/C16H25NO/c1-4-16(3,12-18)11-17-13(2)9-10-14-7-5-6-8-15(14)17/h5-8,13,18H,4,9-12H2,1-3H3
InChIKeyHXZBIKURAQBYPJ-UHFFFAOYSA-N
XLogP3.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-ol with MolForge

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Related Compounds

N,2-dimethyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-amine
CID 62262104
2-amino-2-cyclopropyl-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-ol
CID 64791780
1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropan-2-amine
CID 62489358
2-(ethylamino)-2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-ol
CID 64791594
2,2-dimethyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexanimidamide
CID 106711911
4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol
CID 82972988
1-[2-(bromomethyl)-3,3-dimethylbutyl]-2-methyl-3,4-dihydro-2H-quinoline
CID 65015824
2-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylbutan-1-amine
CID 63482331
1-(tert-butylamino)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 115474826
2-methyl-1-(2-phenylsulfanylethyl)-3,4-dihydro-2H-quinoline
CID 79319370
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-ol (CID 62271455) is 2-methyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-ol is CCC(C)(CO)CN1c2ccccc2CCC1C.
What is the InChIKey of 2-methyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-ol?
The InChIKey is HXZBIKURAQBYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-16(3,12-18)11-17-13(2)9-10-14-7-5-6-8-15(14)17/h5-8,13,18H,4,9-12H2,1-3H3.
What are the key properties of 2-methyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-ol?
2-methyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-ol is sourced from PubChem (CID 62271455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).