[2-chloro-6-(quinolin-8-ylmethoxy)phenyl]methanamine

C17H15ClN2O — CID 114318357

IUPAC[2-chloro-6-(quinolin-8-ylmethoxy)phenyl]methanamine
SMILESNCc1c(Cl)cccc1OCc1cccc2cccnc12
InChIInChI=1S/C17H15ClN2O/c18-15-7-2-8-16(14(15)10-19)21-11-13-5-1-4-12-6-3-9-20-17(12)13/h1-9H,10-11,19H2
InChIKeyZJGVERQREUGACS-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.93
Rot. Bonds4

About [2-chloro-6-(quinolin-8-ylmethoxy)phenyl]methanamine

[2-chloro-6-(quinolin-8-ylmethoxy)phenyl]methanamine (PubChem CID 114318357) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is [2-chloro-6-(quinolin-8-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-(quinolin-8-ylmethoxy)phenyl]methanamine
PubChem CID114318357
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name[2-chloro-6-(quinolin-8-ylmethoxy)phenyl]methanamine
SMILESNCc1c(Cl)cccc1OCc1cccc2cccnc12
InChIInChI=1S/C17H15ClN2O/c18-15-7-2-8-16(14(15)10-19)21-11-13-5-1-4-12-6-3-9-20-17(12)13/h1-9H,10-11,19H2
InChIKeyZJGVERQREUGACS-UHFFFAOYSA-N
XLogP3.93
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(2-chlorophenoxy)methyl]quinoline
CID 60705460
8-[(2-chlorophenyl)methoxy]quinoline
CID 2110324
[2-(quinolin-8-yloxymethyl)phenyl]methanamine
CID 28824796
[5-fluoro-2-(quinolin-8-ylmethoxy)phenyl]methanamine
CID 107695009
[3-chloro-2-(quinolin-8-ylmethoxy)phenyl]methanol
CID 115956285
8-[[4-(bromomethyl)-2-chlorophenoxy]methyl]quinoline
CID 63536066
quinolin-8-ylmethanamine;hydrochloride
CID 50988699
[2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 114848279
5-fluoro-2-(quinolin-8-ylmethoxy)aniline
CID 62369996
8-[[2-(chloromethyl)-4-methylphenoxy]methyl]quinoline
CID 63325423
2-(quinolin-8-ylmethoxy)ethanamine
CID 62343014
[6-(quinolin-8-yloxymethyl)-2-pyridinyl]methanamine
CID 106908172

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(quinolin-8-ylmethoxy)phenyl]methanamine?
The IUPAC name of [2-chloro-6-(quinolin-8-ylmethoxy)phenyl]methanamine (CID 114318357) is [2-chloro-6-(quinolin-8-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [2-chloro-6-(quinolin-8-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [2-chloro-6-(quinolin-8-ylmethoxy)phenyl]methanamine is NCc1c(Cl)cccc1OCc1cccc2cccnc12.
What is the InChIKey of [2-chloro-6-(quinolin-8-ylmethoxy)phenyl]methanamine?
The InChIKey is ZJGVERQREUGACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-15-7-2-8-16(14(15)10-19)21-11-13-5-1-4-12-6-3-9-20-17(12)13/h1-9H,10-11,19H2.
What are the key properties of [2-chloro-6-(quinolin-8-ylmethoxy)phenyl]methanamine?
[2-chloro-6-(quinolin-8-ylmethoxy)phenyl]methanamine has a molecular weight of 298.77 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(quinolin-8-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 114318357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).