3-[(2-ethoxyphenyl)methyl]quinolin-2-amine;hydrochloride

C18H19ClN2O — CID 68554141

IUPAC3-[(2-ethoxyphenyl)methyl]quinolin-2-amine;hydrochloride
SMILESCCOc1ccccc1Cc1cc2ccccc2nc1N.Cl
InChIInChI=1S/C18H18N2O.ClH/c1-2-21-17-10-6-4-8-14(17)12-15-11-13-7-3-5-9-16(13)20-18(15)19;/h3-11H,2,12H2,1H3,(H2,19,20);1H
InChIKeySKXGIJGFKQVERA-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.23
Rot. Bonds4

About 3-[(2-ethoxyphenyl)methyl]quinolin-2-amine;hydrochloride

3-[(2-ethoxyphenyl)methyl]quinolin-2-amine;hydrochloride (PubChem CID 68554141) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 3-[(2-ethoxyphenyl)methyl]quinolin-2-amine;hydrochloride.

Molecular Properties

Compound Name3-[(2-ethoxyphenyl)methyl]quinolin-2-amine;hydrochloride
PubChem CID68554141
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name3-[(2-ethoxyphenyl)methyl]quinolin-2-amine;hydrochloride
SMILESCCOc1ccccc1Cc1cc2ccccc2nc1N.Cl
InChIInChI=1S/C18H18N2O.ClH/c1-2-21-17-10-6-4-8-14(17)12-15-11-13-7-3-5-9-16(13)20-18(15)19;/h3-11H,2,12H2,1H3,(H2,19,20);1H
InChIKeySKXGIJGFKQVERA-UHFFFAOYSA-N
XLogP4.23
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-ethoxy-6-fluorophenyl)methyl]quinolin-2-amine;hydrochloride
CID 68550592
5-[(2-ethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 10562267
[2-[(2-aminoquinolin-3-yl)methoxy]phenyl]methanol
CID 63680015
3-[(2-fluoro-6-methoxyphenyl)methyl]quinolin-2-amine
CID 25227515
8-methoxy-3-[(2-methoxyphenyl)methyl]quinolin-2-amine
CID 68554779
N-[(2-ethoxyphenyl)methyl]quinolin-3-amine
CID 43691162
3-octylquinolin-2-amine
CID 23131231
8-ethoxy-3-propylquinolin-2-amine
CID 63232751
3-prop-2-enylquinolin-2-amine;hydrochloride
CID 69457689
3-[(3-methylphenoxy)methyl]quinolin-2-amine
CID 62193527
3-(heptoxymethyl)quinolin-2-amine
CID 62194119
3-(2-methylbutoxy)quinolin-2-amine
CID 118174550

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxyphenyl)methyl]quinolin-2-amine;hydrochloride?
The IUPAC name of 3-[(2-ethoxyphenyl)methyl]quinolin-2-amine;hydrochloride (CID 68554141) is 3-[(2-ethoxyphenyl)methyl]quinolin-2-amine;hydrochloride.
What is the SMILES notation for 3-[(2-ethoxyphenyl)methyl]quinolin-2-amine;hydrochloride?
The canonical SMILES for 3-[(2-ethoxyphenyl)methyl]quinolin-2-amine;hydrochloride is CCOc1ccccc1Cc1cc2ccccc2nc1N.Cl.
What is the InChIKey of 3-[(2-ethoxyphenyl)methyl]quinolin-2-amine;hydrochloride?
The InChIKey is SKXGIJGFKQVERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O.ClH/c1-2-21-17-10-6-4-8-14(17)12-15-11-13-7-3-5-9-16(13)20-18(15)19;/h3-11H,2,12H2,1H3,(H2,19,20);1H.
What are the key properties of 3-[(2-ethoxyphenyl)methyl]quinolin-2-amine;hydrochloride?
3-[(2-ethoxyphenyl)methyl]quinolin-2-amine;hydrochloride has a molecular weight of 314.82 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxyphenyl)methyl]quinolin-2-amine;hydrochloride is sourced from PubChem (CID 68554141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).