3-fluoro-4-methoxy-N-(quinolin-2-ylmethyl)aniline

C17H15FN2O — CID 43380780

IUPAC3-fluoro-4-methoxy-N-(quinolin-2-ylmethyl)aniline
SMILESCOc1ccc(NCc2ccc3ccccc3n2)cc1F
InChIInChI=1S/C17H15FN2O/c1-21-17-9-8-13(10-15(17)18)19-11-14-7-6-12-4-2-3-5-16(12)20-14/h2-10,19H,11H2,1H3
InChIKeyQNDOSKKECKJZKE-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.99
Rot. Bonds4

About 3-fluoro-4-methoxy-N-(quinolin-2-ylmethyl)aniline

3-fluoro-4-methoxy-N-(quinolin-2-ylmethyl)aniline (PubChem CID 43380780) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(quinolin-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(quinolin-2-ylmethyl)aniline
PubChem CID43380780
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name3-fluoro-4-methoxy-N-(quinolin-2-ylmethyl)aniline
SMILESCOc1ccc(NCc2ccc3ccccc3n2)cc1F
InChIInChI=1S/C17H15FN2O/c1-21-17-9-8-13(10-15(17)18)19-11-14-7-6-12-4-2-3-5-16(12)20-14/h2-10,19H,11H2,1H3
InChIKeyQNDOSKKECKJZKE-UHFFFAOYSA-N
XLogP3.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-(quinolin-2-ylmethylamino)phenol
CID 64955663
3-chloro-4-methoxy-N-(quinolin-2-ylmethyl)aniline
CID 28774802
3-fluoro-N-(quinolin-2-ylmethyl)aniline
CID 28774836
3-bromo-5-methoxy-N-(quinolin-2-ylmethyl)aniline
CID 82860064
4-ethyl-N-(quinolin-2-ylmethyl)aniline
CID 29292689
N-[(2-aminophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 66385653
N-(quinolin-2-ylmethyl)dibenzo-p-dioxin-2-amine
CID 70034330
3-fluoro-4-methoxy-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 43775876
3-fluoro-4-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43663743
N-(quinolin-2-ylmethyl)-1,3-benzodioxol-5-amine
CID 28774891
2,3,4-trifluoro-N-(quinolin-2-ylmethyl)aniline
CID 28774815
N-(quinolin-2-ylmethyl)-9H-fluoren-2-amine
CID 23521801

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-(quinolin-2-ylmethyl)aniline?
The IUPAC name of 3-fluoro-4-methoxy-N-(quinolin-2-ylmethyl)aniline (CID 43380780) is 3-fluoro-4-methoxy-N-(quinolin-2-ylmethyl)aniline.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(quinolin-2-ylmethyl)aniline?
The canonical SMILES for 3-fluoro-4-methoxy-N-(quinolin-2-ylmethyl)aniline is COc1ccc(NCc2ccc3ccccc3n2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-(quinolin-2-ylmethyl)aniline?
The InChIKey is QNDOSKKECKJZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-21-17-9-8-13(10-15(17)18)19-11-14-7-6-12-4-2-3-5-16(12)20-14/h2-10,19H,11H2,1H3.
What are the key properties of 3-fluoro-4-methoxy-N-(quinolin-2-ylmethyl)aniline?
3-fluoro-4-methoxy-N-(quinolin-2-ylmethyl)aniline has a molecular weight of 282.32 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-(quinolin-2-ylmethyl)aniline is sourced from PubChem (CID 43380780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).