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

C19H29NO — CID 63893497

IUPAC(2-ethylcyclohexyl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol
SMILESCCC1CCCCC1C(O)c1ccc2c(c1)CCCN2C
InChIInChI=1S/C19H29NO/c1-3-14-7-4-5-9-17(14)19(21)16-10-11-18-15(13-16)8-6-12-20(18)2/h10-11,13-14,17,19,21H,3-9,12H2,1-2H3
InChIKeyHNKRMDOMGDUGKZ-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.32
Rot. Bonds3

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

(2-ethylcyclohexyl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol (PubChem CID 63893497) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is (2-ethylcyclohexyl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol.

Molecular Properties

Compound Name(2-ethylcyclohexyl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol
PubChem CID63893497
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name(2-ethylcyclohexyl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol
SMILESCCC1CCCCC1C(O)c1ccc2c(c1)CCCN2C
InChIInChI=1S/C19H29NO/c1-3-14-7-4-5-9-17(14)19(21)16-10-11-18-15(13-16)8-6-12-20(18)2/h10-11,13-14,17,19,21H,3-9,12H2,1-2H3
InChIKeyHNKRMDOMGDUGKZ-UHFFFAOYSA-N
XLogP4.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

cyclopentyl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63900130
[4-bromo-3-(trifluoromethyl)phenyl]-(2-ethylcyclohexyl)methanol
CID 115801665
ethyl 2-amino-3-hydroxy-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)propanoate
CID 115481721
(1-ethylimidazol-2-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol
CID 63976074
2-(5-bromothiophen-2-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol
CID 65151077
(4-bromothiophen-3-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol
CID 79595705
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-ol
CID 82074067
2-(cyclopropylmethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)acetonitrile
CID 55034834
2,2,2-trifluoro-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 63898475
1-methyl-2-[(1R)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]hydrazine
CID 59760276
1-cyclopentyl-3-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]urea
CID 129373790
3-ethyl-2-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclopentan-1-amine
CID 64922906

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol?
The IUPAC name of (2-ethylcyclohexyl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol (CID 63893497) is (2-ethylcyclohexyl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol.
What is the SMILES notation for (2-ethylcyclohexyl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol?
The canonical SMILES for (2-ethylcyclohexyl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol is CCC1CCCCC1C(O)c1ccc2c(c1)CCCN2C.
What is the InChIKey of (2-ethylcyclohexyl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol?
The InChIKey is HNKRMDOMGDUGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-3-14-7-4-5-9-17(14)19(21)16-10-11-18-15(13-16)8-6-12-20(18)2/h10-11,13-14,17,19,21H,3-9,12H2,1-2H3.
What are the key properties of (2-ethylcyclohexyl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol?
(2-ethylcyclohexyl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol has a molecular weight of 287.45 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol is sourced from PubChem (CID 63893497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).