5-chloro-2-(quinolin-5-yloxymethyl)aniline

C16H13ClN2O — CID 103044256

IUPAC5-chloro-2-(quinolin-5-yloxymethyl)aniline
SMILESNc1cc(Cl)ccc1COc1cccc2ncccc12
InChIInChI=1S/C16H13ClN2O/c17-12-7-6-11(14(18)9-12)10-20-16-5-1-4-15-13(16)3-2-8-19-15/h1-9H,10,18H2
InChIKeyHYFMRTSOMCOTKP-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.05
Rot. Bonds3

About 5-chloro-2-(quinolin-5-yloxymethyl)aniline

5-chloro-2-(quinolin-5-yloxymethyl)aniline (PubChem CID 103044256) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 5-chloro-2-(quinolin-5-yloxymethyl)aniline.

Molecular Properties

Compound Name5-chloro-2-(quinolin-5-yloxymethyl)aniline
PubChem CID103044256
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name5-chloro-2-(quinolin-5-yloxymethyl)aniline
SMILESNc1cc(Cl)ccc1COc1cccc2ncccc12
InChIInChI=1S/C16H13ClN2O/c17-12-7-6-11(14(18)9-12)10-20-16-5-1-4-15-13(16)3-2-8-19-15/h1-9H,10,18H2
InChIKeyHYFMRTSOMCOTKP-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-(quinolin-5-yloxymethyl)aniline
CID 103044079
5-[(4,6-dichloro-3-pyridinyl)methoxy]quinoline
CID 103044604
5-chloro-2-[(2,3-dichlorophenoxy)methyl]aniline
CID 55037402
[5-fluoro-2-(quinolin-5-yloxymethyl)phenyl]methanamine
CID 103044344
5-chloro-2-[(2-fluorophenoxy)methyl]aniline
CID 62102569
5-[(2-bromo-3-fluorophenyl)methoxy]quinoline
CID 103045464
8-[(2,4-dichlorophenyl)methoxy]quinolin-5-amine
CID 60864766
5-chloro-2-[(4-chloro-2-methylphenoxy)methyl]aniline
CID 62101754
4-chloro-2-quinolin-5-yloxybenzaldehyde
CID 103045115
5-chloro-2-quinolin-5-yloxybenzaldehyde
CID 103045106
2-quinolin-5-yloxypyridin-3-amine
CID 103043871
4-[(2-chlorophenoxy)methyl]quinoline
CID 79241295

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(quinolin-5-yloxymethyl)aniline?
The IUPAC name of 5-chloro-2-(quinolin-5-yloxymethyl)aniline (CID 103044256) is 5-chloro-2-(quinolin-5-yloxymethyl)aniline.
What is the SMILES notation for 5-chloro-2-(quinolin-5-yloxymethyl)aniline?
The canonical SMILES for 5-chloro-2-(quinolin-5-yloxymethyl)aniline is Nc1cc(Cl)ccc1COc1cccc2ncccc12.
What is the InChIKey of 5-chloro-2-(quinolin-5-yloxymethyl)aniline?
The InChIKey is HYFMRTSOMCOTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-12-7-6-11(14(18)9-12)10-20-16-5-1-4-15-13(16)3-2-8-19-15/h1-9H,10,18H2.
What are the key properties of 5-chloro-2-(quinolin-5-yloxymethyl)aniline?
5-chloro-2-(quinolin-5-yloxymethyl)aniline has a molecular weight of 284.75 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(quinolin-5-yloxymethyl)aniline is sourced from PubChem (CID 103044256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).