1-[2-(3-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine

C17H15ClN2O — CID 62323576

IUPAC1-[2-(3-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine
SMILESCNCc1cc(Oc2cccc(Cl)c2)nc2ccccc12
InChIInChI=1S/C17H15ClN2O/c1-19-11-12-9-17(20-16-8-3-2-7-15(12)16)21-14-6-4-5-13(18)10-14/h2-10,19H,11H2,1H3
InChIKeyPBWNXTYEAPBSDW-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.40
Rot. Bonds4

About 1-[2-(3-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine

1-[2-(3-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine (PubChem CID 62323576) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 1-[2-(3-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine
PubChem CID62323576
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name1-[2-(3-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine
SMILESCNCc1cc(Oc2cccc(Cl)c2)nc2ccccc12
InChIInChI=1S/C17H15ClN2O/c1-19-11-12-9-17(20-16-8-3-2-7-15(12)16)21-14-6-4-5-13(18)10-14/h2-10,19H,11H2,1H3
InChIKeyPBWNXTYEAPBSDW-UHFFFAOYSA-N
XLogP4.40
TPSA34.15 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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine
CID 62297834
N-methyl-1-[2-(2-methylphenoxy)quinolin-4-yl]methanamine
CID 62298208
1-[2-(1-ethylpyrazol-4-yl)oxyquinolin-4-yl]-N-methylmethanamine
CID 116802845
4-(chloromethyl)-2-(3-methylphenoxy)quinoline
CID 63446156
4-(chloromethyl)-2-(3-fluorophenoxy)quinoline
CID 61268986
1-[2-[(3-chlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62460997
1-[2-(3-chlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43314250
N,N-diethyl-2-[4-(methylaminomethyl)quinolin-2-yl]oxyethanamine
CID 62296835
4-(chloromethyl)-2-(4-methylphenoxy)quinoline
CID 63446185
N-[[6-(3-chlorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 62323929
1-[5-chloro-2-(3-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928186
N-[[6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62322346

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine (CID 62323576) is 1-[2-(3-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine is CNCc1cc(Oc2cccc(Cl)c2)nc2ccccc12.
What is the InChIKey of 1-[2-(3-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine?
The InChIKey is PBWNXTYEAPBSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-19-11-12-9-17(20-16-8-3-2-7-15(12)16)21-14-6-4-5-13(18)10-14/h2-10,19H,11H2,1H3.
What are the key properties of 1-[2-(3-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine?
1-[2-(3-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine has a molecular weight of 298.77 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 62323576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).