3-[(2-ethoxy-6-fluorophenyl)methyl]quinolin-2-amine;hydrochloride

C18H18ClFN2O — CID 68550592

IUPAC3-[(2-ethoxy-6-fluorophenyl)methyl]quinolin-2-amine;hydrochloride
SMILESCCOc1cccc(F)c1Cc1cc2ccccc2nc1N.Cl
InChIInChI=1S/C18H17FN2O.ClH/c1-2-22-17-9-5-7-15(19)14(17)11-13-10-12-6-3-4-8-16(12)21-18(13)20;/h3-10H,2,11H2,1H3,(H2,20,21);1H
InChIKeyDZWDKPDMOSHOOV-UHFFFAOYSA-N
MW332.81 g/mol
LogP4.37
Rot. Bonds4

About 3-[(2-ethoxy-6-fluorophenyl)methyl]quinolin-2-amine;hydrochloride

3-[(2-ethoxy-6-fluorophenyl)methyl]quinolin-2-amine;hydrochloride (PubChem CID 68550592) has the molecular formula C18H18ClFN2O and a molecular weight of 332.81 g/mol. Its IUPAC name is 3-[(2-ethoxy-6-fluorophenyl)methyl]quinolin-2-amine;hydrochloride.

Molecular Properties

Compound Name3-[(2-ethoxy-6-fluorophenyl)methyl]quinolin-2-amine;hydrochloride
PubChem CID68550592
Molecular FormulaC18H18ClFN2O
Molecular Weight332.81 g/mol
Exact Mass332.11
IUPAC Name3-[(2-ethoxy-6-fluorophenyl)methyl]quinolin-2-amine;hydrochloride
SMILESCCOc1cccc(F)c1Cc1cc2ccccc2nc1N.Cl
InChIInChI=1S/C18H17FN2O.ClH/c1-2-22-17-9-5-7-15(19)14(17)11-13-10-12-6-3-4-8-16(12)21-18(13)20;/h3-10H,2,11H2,1H3,(H2,20,21);1H
InChIKeyDZWDKPDMOSHOOV-UHFFFAOYSA-N
XLogP4.37
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-fluoro-6-methoxyphenyl)methyl]quinolin-2-amine
CID 25227515
3-[(2-ethoxyphenyl)methyl]quinolin-2-amine;hydrochloride
CID 68554141
3-[(2,6-difluorophenoxy)methyl]quinolin-2-amine
CID 81265271
8-ethoxy-3-propylquinolin-2-amine
CID 63232751
[2-[(2-aminoquinolin-3-yl)methoxy]phenyl]methanol
CID 63680015
3-[(3-methylphenoxy)methyl]quinolin-2-amine
CID 62193527
3-octylquinolin-2-amine
CID 23131231
3-ethoxyquinoline-2-carbaldehyde
CID 177169665
[2-(2,3-difluorophenoxy)quinolin-3-yl]methanol
CID 63036604
3-prop-2-enylquinolin-2-amine;hydrochloride
CID 69457689
1,3,5-triethoxy-2-[2-(2-fluorophenyl)ethyl]benzene
CID 173219206
3-(heptoxymethyl)quinolin-2-amine
CID 62194119

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxy-6-fluorophenyl)methyl]quinolin-2-amine;hydrochloride?
The IUPAC name of 3-[(2-ethoxy-6-fluorophenyl)methyl]quinolin-2-amine;hydrochloride (CID 68550592) is 3-[(2-ethoxy-6-fluorophenyl)methyl]quinolin-2-amine;hydrochloride.
What is the SMILES notation for 3-[(2-ethoxy-6-fluorophenyl)methyl]quinolin-2-amine;hydrochloride?
The canonical SMILES for 3-[(2-ethoxy-6-fluorophenyl)methyl]quinolin-2-amine;hydrochloride is CCOc1cccc(F)c1Cc1cc2ccccc2nc1N.Cl.
What is the InChIKey of 3-[(2-ethoxy-6-fluorophenyl)methyl]quinolin-2-amine;hydrochloride?
The InChIKey is DZWDKPDMOSHOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O.ClH/c1-2-22-17-9-5-7-15(19)14(17)11-13-10-12-6-3-4-8-16(12)21-18(13)20;/h3-10H,2,11H2,1H3,(H2,20,21);1H.
What are the key properties of 3-[(2-ethoxy-6-fluorophenyl)methyl]quinolin-2-amine;hydrochloride?
3-[(2-ethoxy-6-fluorophenyl)methyl]quinolin-2-amine;hydrochloride has a molecular weight of 332.81 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxy-6-fluorophenyl)methyl]quinolin-2-amine;hydrochloride is sourced from PubChem (CID 68550592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).