4-bromo-N-(2-quinolin-5-yloxyethyl)aniline

C17H15BrN2O — CID 103045838

IUPAC4-bromo-N-(2-quinolin-5-yloxyethyl)aniline
SMILESBrc1ccc(NCCOc2cccc3ncccc23)cc1
InChIInChI=1S/C17H15BrN2O/c18-13-6-8-14(9-7-13)19-11-12-21-17-5-1-4-16-15(17)3-2-10-20-16/h1-10,19H,11-12H2
InChIKeyAHMKYMYKHZSEDS-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.49
Rot. Bonds5

About 4-bromo-N-(2-quinolin-5-yloxyethyl)aniline

4-bromo-N-(2-quinolin-5-yloxyethyl)aniline (PubChem CID 103045838) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 4-bromo-N-(2-quinolin-5-yloxyethyl)aniline.

Molecular Properties

Compound Name4-bromo-N-(2-quinolin-5-yloxyethyl)aniline
PubChem CID103045838
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name4-bromo-N-(2-quinolin-5-yloxyethyl)aniline
SMILESBrc1ccc(NCCOc2cccc3ncccc23)cc1
InChIInChI=1S/C17H15BrN2O/c18-13-6-8-14(9-7-13)19-11-12-21-17-5-1-4-16-15(17)3-2-10-20-16/h1-10,19H,11-12H2
InChIKeyAHMKYMYKHZSEDS-UHFFFAOYSA-N
XLogP4.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(2-quinolin-7-yloxyethyl)aniline
CID 107315214
N-(2-quinolin-5-yloxyethyl)pentan-3-amine
CID 103045833
5-(9-bromononoxy)quinoline
CID 103044601
5-(3,3-dimethylbutoxy)quinoline
CID 59667943
3-methyl-N-(2-quinolin-5-yloxyethyl)butan-1-amine
CID 103045848
4-bromo-N-[2-(2,6-dimethylphenoxy)ethyl]aniline
CID 63506215
N-(furan-2-ylmethyl)-2-quinolin-5-yloxyethanamine
CID 103045894
6-quinolin-5-yloxyhexane-1-thiol
CID 103046109
4-bromo-N-[2-(2-methylsulfanylphenoxy)ethyl]aniline
CID 63648942
4-bromo-N-[2-(5-bromo-2-methylphenoxy)ethyl]aniline
CID 107286344
4-(2-quinolin-5-yloxyethoxy)aniline
CID 103044211
6-quinolin-5-yloxyhexane-1-sulfonamide
CID 103046001

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-quinolin-5-yloxyethyl)aniline?
The IUPAC name of 4-bromo-N-(2-quinolin-5-yloxyethyl)aniline (CID 103045838) is 4-bromo-N-(2-quinolin-5-yloxyethyl)aniline.
What is the SMILES notation for 4-bromo-N-(2-quinolin-5-yloxyethyl)aniline?
The canonical SMILES for 4-bromo-N-(2-quinolin-5-yloxyethyl)aniline is Brc1ccc(NCCOc2cccc3ncccc23)cc1.
What is the InChIKey of 4-bromo-N-(2-quinolin-5-yloxyethyl)aniline?
The InChIKey is AHMKYMYKHZSEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c18-13-6-8-14(9-7-13)19-11-12-21-17-5-1-4-16-15(17)3-2-10-20-16/h1-10,19H,11-12H2.
What are the key properties of 4-bromo-N-(2-quinolin-5-yloxyethyl)aniline?
4-bromo-N-(2-quinolin-5-yloxyethyl)aniline has a molecular weight of 343.22 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-quinolin-5-yloxyethyl)aniline is sourced from PubChem (CID 103045838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).