5-[3-(aminomethyl)phenyl]-3-ethylquinolin-2-amine

C18H19N3 — CID 126656197

IUPAC5-[3-(aminomethyl)phenyl]-3-ethylquinolin-2-amine
SMILESCCc1cc2c(-c3cccc(CN)c3)cccc2nc1N
InChIInChI=1S/C18H19N3/c1-2-13-10-16-15(7-4-8-17(16)21-18(13)20)14-6-3-5-12(9-14)11-19/h3-10H,2,11,19H2,1H3,(H2,20,21)
InChIKeyMVWNDOPZRIKCMW-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.51
Rot. Bonds3

About 5-[3-(aminomethyl)phenyl]-3-ethylquinolin-2-amine

5-[3-(aminomethyl)phenyl]-3-ethylquinolin-2-amine (PubChem CID 126656197) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-[3-(aminomethyl)phenyl]-3-ethylquinolin-2-amine.

Molecular Properties

Compound Name5-[3-(aminomethyl)phenyl]-3-ethylquinolin-2-amine
PubChem CID126656197
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name5-[3-(aminomethyl)phenyl]-3-ethylquinolin-2-amine
SMILESCCc1cc2c(-c3cccc(CN)c3)cccc2nc1N
InChIInChI=1S/C18H19N3/c1-2-13-10-16-15(7-4-8-17(16)21-18(13)20)14-6-3-5-12(9-14)11-19/h3-10H,2,11,19H2,1H3,(H2,20,21)
InChIKeyMVWNDOPZRIKCMW-UHFFFAOYSA-N
XLogP3.51
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-5-[3-(aminomethyl)phenyl]pyridine-2-carboxylic acid
CID 82556225
5-[[2-(aminomethyl)phenyl]methyl]-3-pentylquinolin-2-amine;5-[3-(aminomethyl)phenyl]-3-pentylquinolin-2-amine;4-(2-amino-3-pentylquinolin-5-yl)butanamide;3-[(2-amino-3-pentylquinolin-5-yl)methyl]benzamide;5-benzyl-3-pentylquinolin-2-amine
CID 162221430
3-ethyl-8-phenylquinolin-2-amine
CID 55175955
[3-(2-benzofuran-4-yl)phenyl]methanamine
CID 175083312
4-(2-amino-3-pentylquinolin-5-yl)benzonitrile
CID 126622236
2-[2-[3-(aminomethyl)phenyl]phenyl]aniline
CID 174455966
8-[3-(aminomethyl)phenyl]-3-ethyl-2-phenylisoquinolin-1-one
CID 144514912
5-(4-aminobutyl)-3-pentylquinolin-2-amine;6-(4-aminobutyl)-3-pentylquinolin-2-amine;7-(4-aminobutyl)-3-pentylquinolin-2-amine;5-(6-aminohexyl)-3-pentylquinolin-2-amine;5-[4-(aminomethyl)phenyl]-3-pentylquinolin-2-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;6-(5-aminopentyl)-3-pentylquinolin-2-amine;7-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(3-aminopropyl)-3-pentylquinolin-2-amine;methane
CID 163621832
[3-(2-chlorophenyl)phenyl]methanamine
CID 1392189
[3-(2,4,5-trimethylphenyl)phenyl]methanamine
CID 64985236
[3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558534
[3-(3-propylphenyl)phenyl]methanamine
CID 1392934

Frequently Asked Questions

What is the IUPAC name of 5-[3-(aminomethyl)phenyl]-3-ethylquinolin-2-amine?
The IUPAC name of 5-[3-(aminomethyl)phenyl]-3-ethylquinolin-2-amine (CID 126656197) is 5-[3-(aminomethyl)phenyl]-3-ethylquinolin-2-amine.
What is the SMILES notation for 5-[3-(aminomethyl)phenyl]-3-ethylquinolin-2-amine?
The canonical SMILES for 5-[3-(aminomethyl)phenyl]-3-ethylquinolin-2-amine is CCc1cc2c(-c3cccc(CN)c3)cccc2nc1N.
What is the InChIKey of 5-[3-(aminomethyl)phenyl]-3-ethylquinolin-2-amine?
The InChIKey is MVWNDOPZRIKCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-13-10-16-15(7-4-8-17(16)21-18(13)20)14-6-3-5-12(9-14)11-19/h3-10H,2,11,19H2,1H3,(H2,20,21).
What are the key properties of 5-[3-(aminomethyl)phenyl]-3-ethylquinolin-2-amine?
5-[3-(aminomethyl)phenyl]-3-ethylquinolin-2-amine has a molecular weight of 277.37 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(aminomethyl)phenyl]-3-ethylquinolin-2-amine is sourced from PubChem (CID 126656197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).