3-bromo-5-(quinolin-2-ylmethoxy)aniline

C16H13BrN2O — CID 103588166

IUPAC3-bromo-5-(quinolin-2-ylmethoxy)aniline
SMILESNc1cc(Br)cc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C16H13BrN2O/c17-12-7-13(18)9-15(8-12)20-10-14-6-5-11-3-1-2-4-16(11)19-14/h1-9H,10,18H2
InChIKeyYSGDPAYXXHOFOM-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.16
Rot. Bonds3

About 3-bromo-5-(quinolin-2-ylmethoxy)aniline

3-bromo-5-(quinolin-2-ylmethoxy)aniline (PubChem CID 103588166) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 3-bromo-5-(quinolin-2-ylmethoxy)aniline.

Molecular Properties

Compound Name3-bromo-5-(quinolin-2-ylmethoxy)aniline
PubChem CID103588166
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name3-bromo-5-(quinolin-2-ylmethoxy)aniline
SMILESNc1cc(Br)cc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C16H13BrN2O/c17-12-7-13(18)9-15(8-12)20-10-14-6-5-11-3-1-2-4-16(11)19-14/h1-9H,10,18H2
InChIKeyYSGDPAYXXHOFOM-UHFFFAOYSA-N
XLogP4.16
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.16
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

3,5-dichloro-4-(quinolin-2-ylmethoxy)aniline
CID 43351628
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
2-[[3-(bromomethyl)phenoxy]methyl]quinoline
CID 43324683
3-bromo-5-(quinolin-8-ylmethoxy)aniline
CID 103588108
2-[(2-bromo-4-methoxyphenoxy)methyl]quinoline
CID 104707445
4-(quinolin-2-ylmethoxy)benzonitrile
CID 19844724
N-methyl-1-[5-(quinolin-2-ylmethoxy)-2-pyridinyl]methanamine
CID 79781813
[3-(quinolin-2-ylmethoxy)phenyl]boronic acid
CID 43327889
3-bromo-5-quinoxalin-2-yloxyaniline
CID 103589192
6-(quinolin-2-ylmethoxy)naphthalene-2-carbonitrile
CID 23224654
4-methyl-2-(quinolin-2-ylmethoxy)aniline
CID 28773260
2-[(4-chloro-3-fluorophenoxy)methyl]quinoline
CID 82727045

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(quinolin-2-ylmethoxy)aniline?
The IUPAC name of 3-bromo-5-(quinolin-2-ylmethoxy)aniline (CID 103588166) is 3-bromo-5-(quinolin-2-ylmethoxy)aniline.
What is the SMILES notation for 3-bromo-5-(quinolin-2-ylmethoxy)aniline?
The canonical SMILES for 3-bromo-5-(quinolin-2-ylmethoxy)aniline is Nc1cc(Br)cc(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of 3-bromo-5-(quinolin-2-ylmethoxy)aniline?
The InChIKey is YSGDPAYXXHOFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c17-12-7-13(18)9-15(8-12)20-10-14-6-5-11-3-1-2-4-16(11)19-14/h1-9H,10,18H2.
What are the key properties of 3-bromo-5-(quinolin-2-ylmethoxy)aniline?
3-bromo-5-(quinolin-2-ylmethoxy)aniline has a molecular weight of 329.20 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(quinolin-2-ylmethoxy)aniline is sourced from PubChem (CID 103588166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).