(2,2-dimethyl-3,4-dihydro-1H-quinolin-6-yl)methanol

C12H17NO — CID 15720423

IUPAC(2,2-dimethyl-3,4-dihydro-1H-quinolin-6-yl)methanol
SMILESCC1(C)CCc2cc(CO)ccc2N1
InChIInChI=1S/C12H17NO/c1-12(2)6-5-10-7-9(8-14)3-4-11(10)13-12/h3-4,7,13-14H,5-6,8H2,1-2H3
InChIKeyICQYIWGFOILQSU-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.32
Rot. Bonds1

About (2,2-dimethyl-3,4-dihydro-1H-quinolin-6-yl)methanol

(2,2-dimethyl-3,4-dihydro-1H-quinolin-6-yl)methanol (PubChem CID 15720423) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2,2-dimethyl-3,4-dihydro-1H-quinolin-6-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethyl-3,4-dihydro-1H-quinolin-6-yl)methanol
PubChem CID15720423
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2,2-dimethyl-3,4-dihydro-1H-quinolin-6-yl)methanol
SMILESCC1(C)CCc2cc(CO)ccc2N1
InChIInChI=1S/C12H17NO/c1-12(2)6-5-10-7-9(8-14)3-4-11(10)13-12/h3-4,7,13-14H,5-6,8H2,1-2H3
InChIKeyICQYIWGFOILQSU-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3,4-dihydro-1H-quinolin-6-yl)methanol?
The IUPAC name of (2,2-dimethyl-3,4-dihydro-1H-quinolin-6-yl)methanol (CID 15720423) is (2,2-dimethyl-3,4-dihydro-1H-quinolin-6-yl)methanol.
What is the SMILES notation for (2,2-dimethyl-3,4-dihydro-1H-quinolin-6-yl)methanol?
The canonical SMILES for (2,2-dimethyl-3,4-dihydro-1H-quinolin-6-yl)methanol is CC1(C)CCc2cc(CO)ccc2N1.
What is the InChIKey of (2,2-dimethyl-3,4-dihydro-1H-quinolin-6-yl)methanol?
The InChIKey is ICQYIWGFOILQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(2)6-5-10-7-9(8-14)3-4-11(10)13-12/h3-4,7,13-14H,5-6,8H2,1-2H3.
What are the key properties of (2,2-dimethyl-3,4-dihydro-1H-quinolin-6-yl)methanol?
(2,2-dimethyl-3,4-dihydro-1H-quinolin-6-yl)methanol has a molecular weight of 191.27 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3,4-dihydro-1H-quinolin-6-yl)methanol is sourced from PubChem (CID 15720423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).