N-[(6-bromo-2-pyridinyl)methyl]-2-propan-2-ylaniline

C15H17BrN2 — CID 112581724

IUPACN-[(6-bromo-2-pyridinyl)methyl]-2-propan-2-ylaniline
SMILESCC(C)c1ccccc1NCc1cccc(Br)n1
InChIInChI=1S/C15H17BrN2/c1-11(2)13-7-3-4-8-14(13)17-10-12-6-5-9-15(16)18-12/h3-9,11,17H,10H2,1-2H3
InChIKeyBCPJRWQXCARLGK-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.58
Rot. Bonds4

About N-[(6-bromo-2-pyridinyl)methyl]-2-propan-2-ylaniline

N-[(6-bromo-2-pyridinyl)methyl]-2-propan-2-ylaniline (PubChem CID 112581724) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is N-[(6-bromo-2-pyridinyl)methyl]-2-propan-2-ylaniline.

Molecular Properties

Compound NameN-[(6-bromo-2-pyridinyl)methyl]-2-propan-2-ylaniline
PubChem CID112581724
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC NameN-[(6-bromo-2-pyridinyl)methyl]-2-propan-2-ylaniline
SMILESCC(C)c1ccccc1NCc1cccc(Br)n1
InChIInChI=1S/C15H17BrN2/c1-11(2)13-7-3-4-8-14(13)17-10-12-6-5-9-15(16)18-12/h3-9,11,17H,10H2,1-2H3
InChIKeyBCPJRWQXCARLGK-UHFFFAOYSA-N
XLogP4.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(6-bromo-2-pyridinyl)methyl]-2-methylsulfanylaniline
CID 112581978
1-N-[(6-bromo-2-pyridinyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 112582054
N-[(6-bromo-2-pyridinyl)methyl]-2-ethylsulfonylaniline
CID 115938075
2-[(6-bromo-2-pyridinyl)methylamino]-N-methylbenzenesulfonamide
CID 115938117
N-[(6-bromo-2-pyridinyl)methyl]-4-propan-2-ylaniline
CID 112581739
1-[2-[(6-methoxy-2-pyridinyl)methylamino]phenyl]ethanol
CID 103347703
N-[2-(6-bromo-2-pyridinyl)ethyl]-2,6-di(propan-2-yl)aniline
CID 175069379
(1R)-N-[(6-bromo-2-pyridinyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 103936797
N-[(6-bromo-2-pyridinyl)methyl]-2,4,5-trichloroaniline
CID 112581720
N-[(6-bromo-2-pyridinyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 115937864
2-bromo-6-[(2-propan-2-ylanilino)methyl]phenol
CID 61390242
N,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride
CID 158304754

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-2-propan-2-ylaniline?
The IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-2-propan-2-ylaniline (CID 112581724) is N-[(6-bromo-2-pyridinyl)methyl]-2-propan-2-ylaniline.
What is the SMILES notation for N-[(6-bromo-2-pyridinyl)methyl]-2-propan-2-ylaniline?
The canonical SMILES for N-[(6-bromo-2-pyridinyl)methyl]-2-propan-2-ylaniline is CC(C)c1ccccc1NCc1cccc(Br)n1.
What is the InChIKey of N-[(6-bromo-2-pyridinyl)methyl]-2-propan-2-ylaniline?
The InChIKey is BCPJRWQXCARLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-11(2)13-7-3-4-8-14(13)17-10-12-6-5-9-15(16)18-12/h3-9,11,17H,10H2,1-2H3.
What are the key properties of N-[(6-bromo-2-pyridinyl)methyl]-2-propan-2-ylaniline?
N-[(6-bromo-2-pyridinyl)methyl]-2-propan-2-ylaniline has a molecular weight of 305.22 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2-pyridinyl)methyl]-2-propan-2-ylaniline is sourced from PubChem (CID 112581724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).