3-bromo-N-(1-pyridin-2-ylethyl)aniline

C13H13BrN2 — CID 43194583

IUPAC3-bromo-N-(1-pyridin-2-ylethyl)aniline
SMILESCC(Nc1cccc(Br)c1)c1ccccn1
InChIInChI=1S/C13H13BrN2/c1-10(13-7-2-3-8-15-13)16-12-6-4-5-11(14)9-12/h2-10,16H,1H3
InChIKeyLPHDDWONHBDXME-UHFFFAOYSA-N
MW277.17 g/mol
LogP4.02
Rot. Bonds3

About 3-bromo-N-(1-pyridin-2-ylethyl)aniline

3-bromo-N-(1-pyridin-2-ylethyl)aniline (PubChem CID 43194583) has the molecular formula C13H13BrN2 and a molecular weight of 277.17 g/mol. Its IUPAC name is 3-bromo-N-(1-pyridin-2-ylethyl)aniline.

Molecular Properties

Compound Name3-bromo-N-(1-pyridin-2-ylethyl)aniline
PubChem CID43194583
Molecular FormulaC13H13BrN2
Molecular Weight277.17 g/mol
Exact Mass276.03
IUPAC Name3-bromo-N-(1-pyridin-2-ylethyl)aniline
SMILESCC(Nc1cccc(Br)c1)c1ccccn1
InChIInChI=1S/C13H13BrN2/c1-10(13-7-2-3-8-15-13)16-12-6-4-5-11(14)9-12/h2-10,16H,1H3
InChIKeyLPHDDWONHBDXME-UHFFFAOYSA-N
XLogP4.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43196359
3,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43195401
3-bromo-4-fluoro-N-(1-pyridin-2-ylethyl)aniline
CID 113354964
N-[3-(1-pyridin-2-ylethylamino)phenyl]acetamide
CID 43193722
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)aniline
CID 43729519
methyl 3-(1-pyridin-2-ylethylamino)benzoate
CID 43139302
5-methyl-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 115922253
3-bromo-N-propan-2-ylaniline
CID 23291934
N-[2-(3-bromophenoxy)ethyl]-1-pyridin-2-ylethanamine
CID 60694300
4-(1-pyridin-2-ylethylamino)phenol
CID 43742707
4-chloro-N-(1-pyridin-2-ylethyl)aniline
CID 43194293
2-[1-(3-bromoanilino)ethyl]benzene-1,3-diol
CID 107710405

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-pyridin-2-ylethyl)aniline?
The IUPAC name of 3-bromo-N-(1-pyridin-2-ylethyl)aniline (CID 43194583) is 3-bromo-N-(1-pyridin-2-ylethyl)aniline.
What is the SMILES notation for 3-bromo-N-(1-pyridin-2-ylethyl)aniline?
The canonical SMILES for 3-bromo-N-(1-pyridin-2-ylethyl)aniline is CC(Nc1cccc(Br)c1)c1ccccn1.
What is the InChIKey of 3-bromo-N-(1-pyridin-2-ylethyl)aniline?
The InChIKey is LPHDDWONHBDXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2/c1-10(13-7-2-3-8-15-13)16-12-6-4-5-11(14)9-12/h2-10,16H,1H3.
What are the key properties of 3-bromo-N-(1-pyridin-2-ylethyl)aniline?
3-bromo-N-(1-pyridin-2-ylethyl)aniline has a molecular weight of 277.17 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-pyridin-2-ylethyl)aniline is sourced from PubChem (CID 43194583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).