[5-chloro-2-(2-methylquinolin-8-yl)oxyphenyl]methanamine

C17H15ClN2O — CID 62493343

IUPAC[5-chloro-2-(2-methylquinolin-8-yl)oxyphenyl]methanamine
SMILESCc1ccc2cccc(Oc3ccc(Cl)cc3CN)c2n1
InChIInChI=1S/C17H15ClN2O/c1-11-5-6-12-3-2-4-16(17(12)20-11)21-15-8-7-14(18)9-13(15)10-19/h2-9H,10,19H2,1H3
InChIKeyWKXBSDFHCUHJLI-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.45
Rot. Bonds3

About [5-chloro-2-(2-methylquinolin-8-yl)oxyphenyl]methanamine

[5-chloro-2-(2-methylquinolin-8-yl)oxyphenyl]methanamine (PubChem CID 62493343) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is [5-chloro-2-(2-methylquinolin-8-yl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(2-methylquinolin-8-yl)oxyphenyl]methanamine
PubChem CID62493343
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name[5-chloro-2-(2-methylquinolin-8-yl)oxyphenyl]methanamine
SMILESCc1ccc2cccc(Oc3ccc(Cl)cc3CN)c2n1
InChIInChI=1S/C17H15ClN2O/c1-11-5-6-12-3-2-4-16(17(12)20-11)21-15-8-7-14(18)9-13(15)10-19/h2-9H,10,19H2,1H3
InChIKeyWKXBSDFHCUHJLI-UHFFFAOYSA-N
XLogP4.45
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile
CID 62493743
4-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile
CID 63094434
[3-bromo-4-(2-methylquinolin-8-yl)oxyphenyl]methanamine
CID 82785114
8-[2-[2-(4-chloro-2-methylphenoxy)ethoxy]ethoxy]-2-methylquinoline
CID 2182613
8-[3-chloro-2-(chloromethyl)phenoxy]-2-methylquinoline
CID 43352208
[5-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 62493858
8-[4-chloro-2-(chloromethyl)phenoxy]quinoline
CID 114847000
2-fluoro-6-(2-methylquinolin-8-yl)oxyaniline
CID 60789943
5-iodo-2-(2-methylquinolin-8-yl)oxyaniline
CID 66081361
[5-(2-methylquinolin-8-yl)oxy-2-pyridinyl]methanamine
CID 115487171
8-[2-(4-chlorophenoxy)ethoxy]-2-methylquinoline
CID 2299353
2-methyl-5-(2-methylquinolin-8-yl)oxyquinolin-8-ol
CID 143770480

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2-methylquinolin-8-yl)oxyphenyl]methanamine?
The IUPAC name of [5-chloro-2-(2-methylquinolin-8-yl)oxyphenyl]methanamine (CID 62493343) is [5-chloro-2-(2-methylquinolin-8-yl)oxyphenyl]methanamine.
What is the SMILES notation for [5-chloro-2-(2-methylquinolin-8-yl)oxyphenyl]methanamine?
The canonical SMILES for [5-chloro-2-(2-methylquinolin-8-yl)oxyphenyl]methanamine is Cc1ccc2cccc(Oc3ccc(Cl)cc3CN)c2n1.
What is the InChIKey of [5-chloro-2-(2-methylquinolin-8-yl)oxyphenyl]methanamine?
The InChIKey is WKXBSDFHCUHJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-11-5-6-12-3-2-4-16(17(12)20-11)21-15-8-7-14(18)9-13(15)10-19/h2-9H,10,19H2,1H3.
What are the key properties of [5-chloro-2-(2-methylquinolin-8-yl)oxyphenyl]methanamine?
[5-chloro-2-(2-methylquinolin-8-yl)oxyphenyl]methanamine has a molecular weight of 298.77 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2-methylquinolin-8-yl)oxyphenyl]methanamine is sourced from PubChem (CID 62493343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).