2-bromo-N-(quinolin-8-ylmethyl)aniline

C16H13BrN2 — CID 28616025

IUPAC2-bromo-N-(quinolin-8-ylmethyl)aniline
SMILESBrc1ccccc1NCc1cccc2cccnc12
InChIInChI=1S/C16H13BrN2/c17-14-8-1-2-9-15(14)19-11-13-6-3-5-12-7-4-10-18-16(12)13/h1-10,19H,11H2
InChIKeyNRKQRHDLUDNDTF-UHFFFAOYSA-N
MW313.20 g/mol
LogP4.61
Rot. Bonds3

About 2-bromo-N-(quinolin-8-ylmethyl)aniline

2-bromo-N-(quinolin-8-ylmethyl)aniline (PubChem CID 28616025) has the molecular formula C16H13BrN2 and a molecular weight of 313.20 g/mol. Its IUPAC name is 2-bromo-N-(quinolin-8-ylmethyl)aniline.

Molecular Properties

Compound Name2-bromo-N-(quinolin-8-ylmethyl)aniline
PubChem CID28616025
Molecular FormulaC16H13BrN2
Molecular Weight313.20 g/mol
Exact Mass312.03
IUPAC Name2-bromo-N-(quinolin-8-ylmethyl)aniline
SMILESBrc1ccccc1NCc1cccc2cccnc12
InChIInChI=1S/C16H13BrN2/c17-14-8-1-2-9-15(14)19-11-13-6-3-5-12-7-4-10-18-16(12)13/h1-10,19H,11H2
InChIKeyNRKQRHDLUDNDTF-UHFFFAOYSA-N
XLogP4.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(quinolin-8-ylmethyl)pyridin-4-amine
CID 104777182
2-N,2-N-dimethyl-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine
CID 43726392
N-(quinolin-8-ylmethyl)aniline
CID 28610045
2-ethoxy-N-(quinolin-8-ylmethyl)aniline
CID 28612848
5-bromo-N-(quinolin-8-ylmethyl)pyrimidin-2-amine
CID 78953418
4-bromo-5-fluoro-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine
CID 81427965
3-chloro-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine
CID 104834766
N-[(4-bromothiophen-3-yl)methyl]quinolin-8-amine
CID 112739609
N-[(2-bromophenyl)methyl]-6-chloroquinolin-8-amine
CID 43672427
4-bromo-2-(quinolin-8-ylmethylamino)benzonitrile
CID 114902063
2-bromo-N-(pyrimidin-2-ylmethyl)aniline
CID 62699905
4-bromo-2,6-dichloro-N-(quinolin-8-ylmethyl)aniline
CID 28992978

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(quinolin-8-ylmethyl)aniline?
The IUPAC name of 2-bromo-N-(quinolin-8-ylmethyl)aniline (CID 28616025) is 2-bromo-N-(quinolin-8-ylmethyl)aniline.
What is the SMILES notation for 2-bromo-N-(quinolin-8-ylmethyl)aniline?
The canonical SMILES for 2-bromo-N-(quinolin-8-ylmethyl)aniline is Brc1ccccc1NCc1cccc2cccnc12.
What is the InChIKey of 2-bromo-N-(quinolin-8-ylmethyl)aniline?
The InChIKey is NRKQRHDLUDNDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2/c17-14-8-1-2-9-15(14)19-11-13-6-3-5-12-7-4-10-18-16(12)13/h1-10,19H,11H2.
What are the key properties of 2-bromo-N-(quinolin-8-ylmethyl)aniline?
2-bromo-N-(quinolin-8-ylmethyl)aniline has a molecular weight of 313.20 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(quinolin-8-ylmethyl)aniline is sourced from PubChem (CID 28616025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).