(2-chloro-4-quinolin-3-yloxyphenyl)methanamine

C16H13ClN2O — CID 107386840

IUPAC(2-chloro-4-quinolin-3-yloxyphenyl)methanamine
SMILESNCc1ccc(Oc2cnc3ccccc3c2)cc1Cl
InChIInChI=1S/C16H13ClN2O/c17-15-8-13(6-5-12(15)9-18)20-14-7-11-3-1-2-4-16(11)19-10-14/h1-8,10H,9,18H2
InChIKeyPWSBUJDIKMBAPX-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.14
Rot. Bonds3

About (2-chloro-4-quinolin-3-yloxyphenyl)methanamine

(2-chloro-4-quinolin-3-yloxyphenyl)methanamine (PubChem CID 107386840) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is (2-chloro-4-quinolin-3-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-quinolin-3-yloxyphenyl)methanamine
PubChem CID107386840
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name(2-chloro-4-quinolin-3-yloxyphenyl)methanamine
SMILESNCc1ccc(Oc2cnc3ccccc3c2)cc1Cl
InChIInChI=1S/C16H13ClN2O/c17-15-8-13(6-5-12(15)9-18)20-14-7-11-3-1-2-4-16(11)19-10-14/h1-8,10H,9,18H2
InChIKeyPWSBUJDIKMBAPX-UHFFFAOYSA-N
XLogP4.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2-quinolin-3-yloxyphenyl)methanamine
CID 107386867
1-(2-chloro-4-quinolin-3-yloxyphenyl)ethanol
CID 107387496
2-(4-quinolin-3-yloxyphenyl)ethanamine
CID 107388035
3-[(2,4-dichlorophenyl)methoxy]quinoline
CID 107388172
[4-(1,3-benzothiazol-2-yloxy)-2-chlorophenyl]methanamine
CID 102724687
(2-quinolin-3-yloxypyrimidin-5-yl)methanamine
CID 107387604
N-methyl-1-(2-methyl-4-quinolin-3-yloxyphenyl)methanamine
CID 107387603
3-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline
CID 107387690
N-chloro-4-quinolin-3-yloxyaniline
CID 18511535
3-[4-(bromomethyl)phenoxy]quinoline
CID 107387563
(5-chloro-2-quinolin-3-yloxy-4-pyridinyl)methanol
CID 107387669
2-quinolin-3-yloxyethanamine
CID 84661473

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-quinolin-3-yloxyphenyl)methanamine?
The IUPAC name of (2-chloro-4-quinolin-3-yloxyphenyl)methanamine (CID 107386840) is (2-chloro-4-quinolin-3-yloxyphenyl)methanamine.
What is the SMILES notation for (2-chloro-4-quinolin-3-yloxyphenyl)methanamine?
The canonical SMILES for (2-chloro-4-quinolin-3-yloxyphenyl)methanamine is NCc1ccc(Oc2cnc3ccccc3c2)cc1Cl.
What is the InChIKey of (2-chloro-4-quinolin-3-yloxyphenyl)methanamine?
The InChIKey is PWSBUJDIKMBAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-15-8-13(6-5-12(15)9-18)20-14-7-11-3-1-2-4-16(11)19-10-14/h1-8,10H,9,18H2.
What are the key properties of (2-chloro-4-quinolin-3-yloxyphenyl)methanamine?
(2-chloro-4-quinolin-3-yloxyphenyl)methanamine has a molecular weight of 284.75 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-quinolin-3-yloxyphenyl)methanamine is sourced from PubChem (CID 107386840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).