[4-(3,4-dichlorophenoxy)quinolin-2-yl]methanamine

C16H12Cl2N2O — CID 63377726

IUPAC[4-(3,4-dichlorophenoxy)quinolin-2-yl]methanamine
SMILESNCc1cc(Oc2ccc(Cl)c(Cl)c2)c2ccccc2n1
InChIInChI=1S/C16H12Cl2N2O/c17-13-6-5-11(8-14(13)18)21-16-7-10(9-19)20-15-4-2-1-3-12(15)16/h1-8H,9,19H2
InChIKeyBHVDAFCKCRIMJK-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.79
Rot. Bonds3

About [4-(3,4-dichlorophenoxy)quinolin-2-yl]methanamine

[4-(3,4-dichlorophenoxy)quinolin-2-yl]methanamine (PubChem CID 63377726) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is [4-(3,4-dichlorophenoxy)quinolin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(3,4-dichlorophenoxy)quinolin-2-yl]methanamine
PubChem CID63377726
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name[4-(3,4-dichlorophenoxy)quinolin-2-yl]methanamine
SMILESNCc1cc(Oc2ccc(Cl)c(Cl)c2)c2ccccc2n1
InChIInChI=1S/C16H12Cl2N2O/c17-13-6-5-11(8-14(13)18)21-16-7-10(9-19)20-15-4-2-1-3-12(15)16/h1-8H,9,19H2
InChIKeyBHVDAFCKCRIMJK-UHFFFAOYSA-N
XLogP4.79
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-chloro-3-fluorophenoxy)quinolin-2-yl]methanamine
CID 82718575
[4-(2,5-dichlorophenoxy)quinolin-2-yl]methanamine
CID 63377411
[4-(3,4-dimethylphenoxy)quinolin-2-yl]methanamine
CID 63377590
[4-(4-bromo-3-fluorophenoxy)quinolin-2-yl]methanamine
CID 65201195
[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methanamine
CID 135373987
[4-(2-bromo-4-chlorophenoxy)quinolin-2-yl]methanamine
CID 63377591
[2-chloro-6-(3,4-dichlorophenoxy)phenyl]methanamine
CID 63458744
2-(chloromethyl)-4-(4-iodophenoxy)quinoline
CID 63446807
[2-(3,4-dichlorophenoxy)phenyl]methanamine;hydrochloride
CID 19926666
2-(chloromethyl)-4-(2,5-dichlorophenoxy)quinoline
CID 63446146
[4-(2,3-dimethylphenoxy)quinolin-2-yl]methanamine
CID 63377413
(4-phenylmethoxyquinolin-2-yl)methanamine
CID 63377220

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dichlorophenoxy)quinolin-2-yl]methanamine?
The IUPAC name of [4-(3,4-dichlorophenoxy)quinolin-2-yl]methanamine (CID 63377726) is [4-(3,4-dichlorophenoxy)quinolin-2-yl]methanamine.
What is the SMILES notation for [4-(3,4-dichlorophenoxy)quinolin-2-yl]methanamine?
The canonical SMILES for [4-(3,4-dichlorophenoxy)quinolin-2-yl]methanamine is NCc1cc(Oc2ccc(Cl)c(Cl)c2)c2ccccc2n1.
What is the InChIKey of [4-(3,4-dichlorophenoxy)quinolin-2-yl]methanamine?
The InChIKey is BHVDAFCKCRIMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c17-13-6-5-11(8-14(13)18)21-16-7-10(9-19)20-15-4-2-1-3-12(15)16/h1-8H,9,19H2.
What are the key properties of [4-(3,4-dichlorophenoxy)quinolin-2-yl]methanamine?
[4-(3,4-dichlorophenoxy)quinolin-2-yl]methanamine has a molecular weight of 319.19 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dichlorophenoxy)quinolin-2-yl]methanamine is sourced from PubChem (CID 63377726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).