2-bromo-5-methyl-N-(2-pyridin-4-ylethyl)aniline

C14H15BrN2 — CID 82757124

IUPAC2-bromo-5-methyl-N-(2-pyridin-4-ylethyl)aniline
SMILESCc1ccc(Br)c(NCCc2ccncc2)c1
InChIInChI=1S/C14H15BrN2/c1-11-2-3-13(15)14(10-11)17-9-6-12-4-7-16-8-5-12/h2-5,7-8,10,17H,6,9H2,1H3
InChIKeyQHBRRLDLBSRJGT-UHFFFAOYSA-N
MW291.19 g/mol
LogP3.81
Rot. Bonds4

About 2-bromo-5-methyl-N-(2-pyridin-4-ylethyl)aniline

2-bromo-5-methyl-N-(2-pyridin-4-ylethyl)aniline (PubChem CID 82757124) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-(2-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name2-bromo-5-methyl-N-(2-pyridin-4-ylethyl)aniline
PubChem CID82757124
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name2-bromo-5-methyl-N-(2-pyridin-4-ylethyl)aniline
SMILESCc1ccc(Br)c(NCCc2ccncc2)c1
InChIInChI=1S/C14H15BrN2/c1-11-2-3-13(15)14(10-11)17-9-6-12-4-7-16-8-5-12/h2-5,7-8,10,17H,6,9H2,1H3
InChIKeyQHBRRLDLBSRJGT-UHFFFAOYSA-N
XLogP3.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-chloro-4-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 104723469
5-methyl-2-(2-pyridin-4-ylethylamino)benzoic acid
CID 62515343
4-bromo-2,3-dichloro-N-(2-pyridin-4-ylethyl)aniline
CID 114001741
N-[(2-bromo-4-methylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 115556824
2-bromo-4-fluoro-N-(2-pyridin-4-ylethyl)aniline
CID 60864895
2-bromo-N-(2-methoxyethyl)-5-methylaniline
CID 82757107
4-chloro-2-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 114255842
2-bromo-5-methyl-N-(pyrimidin-4-ylmethyl)aniline
CID 82762182
2-bromo-5-methyl-N-[(4-methylphenyl)methyl]aniline
CID 82760988
4-bromo-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine
CID 65343734
4-bromo-3-methoxy-N-(2-pyridin-4-ylethyl)aniline
CID 82868263
2-bromo-5-methyl-N-(3-methylsulfanylpropyl)aniline
CID 82761327

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-(2-pyridin-4-ylethyl)aniline?
The IUPAC name of 2-bromo-5-methyl-N-(2-pyridin-4-ylethyl)aniline (CID 82757124) is 2-bromo-5-methyl-N-(2-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 2-bromo-5-methyl-N-(2-pyridin-4-ylethyl)aniline?
The canonical SMILES for 2-bromo-5-methyl-N-(2-pyridin-4-ylethyl)aniline is Cc1ccc(Br)c(NCCc2ccncc2)c1.
What is the InChIKey of 2-bromo-5-methyl-N-(2-pyridin-4-ylethyl)aniline?
The InChIKey is QHBRRLDLBSRJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-11-2-3-13(15)14(10-11)17-9-6-12-4-7-16-8-5-12/h2-5,7-8,10,17H,6,9H2,1H3.
What are the key properties of 2-bromo-5-methyl-N-(2-pyridin-4-ylethyl)aniline?
2-bromo-5-methyl-N-(2-pyridin-4-ylethyl)aniline has a molecular weight of 291.19 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-N-(2-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 82757124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).