N-[2-(6-bromo-2-pyridinyl)ethyl]-2,6-di(propan-2-yl)aniline

C19H25BrN2 — CID 175069379

IUPACN-[2-(6-bromo-2-pyridinyl)ethyl]-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1NCCc1cccc(Br)n1
InChIInChI=1S/C19H25BrN2/c1-13(2)16-8-6-9-17(14(3)4)19(16)21-12-11-15-7-5-10-18(20)22-15/h5-10,13-14,21H,11-12H2,1-4H3
InChIKeyZBWIHXZIICHUGJ-UHFFFAOYSA-N
MW361.33 g/mol
LogP5.75
Rot. Bonds6

About N-[2-(6-bromo-2-pyridinyl)ethyl]-2,6-di(propan-2-yl)aniline

N-[2-(6-bromo-2-pyridinyl)ethyl]-2,6-di(propan-2-yl)aniline (PubChem CID 175069379) has the molecular formula C19H25BrN2 and a molecular weight of 361.33 g/mol. Its IUPAC name is N-[2-(6-bromo-2-pyridinyl)ethyl]-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-[2-(6-bromo-2-pyridinyl)ethyl]-2,6-di(propan-2-yl)aniline
PubChem CID175069379
Molecular FormulaC19H25BrN2
Molecular Weight361.33 g/mol
Exact Mass360.12
IUPAC NameN-[2-(6-bromo-2-pyridinyl)ethyl]-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1NCCc1cccc(Br)n1
InChIInChI=1S/C19H25BrN2/c1-13(2)16-8-6-9-17(14(3)4)19(16)21-12-11-15-7-5-10-18(20)22-15/h5-10,13-14,21H,11-12H2,1-4H3
InChIKeyZBWIHXZIICHUGJ-UHFFFAOYSA-N
XLogP5.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.33
LogP ≤ 55.75
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-propan-2-ylaniline
CID 112581724
6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridin-2-amine
CID 22292710
3-[2,6-di(propan-2-yl)anilino]propanenitrile
CID 82041201
N-[2-[2-[2,6-di(propan-2-yl)anilino]ethoxy]ethyl]-2,6-di(propan-2-yl)aniline
CID 86189291
N-pent-3-enyl-2,6-di(propan-2-yl)aniline
CID 175052075
N-[(6-bromo-2-pyridinyl)methyl]-4-propan-2-ylaniline
CID 112581739
N'-[2-[2,6-di(propan-2-yl)anilino]ethyl]-N-[2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;technetium;dichloride
CID 18441374
N'-[2-[2,6-di(propan-2-yl)anilino]ethyl]-N-[2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;silver;dichloride
CID 18441373
(1R)-N-[(6-bromo-2-pyridinyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 103936797
CID 11850391
CID 11850391
N-[(6-bromo-2-pyridinyl)methyl]-4-methylpentan-2-amine
CID 112581921
tert-butyl N-[3-(6-bromo-2-pyridinyl)propyl]carbamate
CID 125470334

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-bromo-2-pyridinyl)ethyl]-2,6-di(propan-2-yl)aniline?
The IUPAC name of N-[2-(6-bromo-2-pyridinyl)ethyl]-2,6-di(propan-2-yl)aniline (CID 175069379) is N-[2-(6-bromo-2-pyridinyl)ethyl]-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for N-[2-(6-bromo-2-pyridinyl)ethyl]-2,6-di(propan-2-yl)aniline?
The canonical SMILES for N-[2-(6-bromo-2-pyridinyl)ethyl]-2,6-di(propan-2-yl)aniline is CC(C)c1cccc(C(C)C)c1NCCc1cccc(Br)n1.
What is the InChIKey of N-[2-(6-bromo-2-pyridinyl)ethyl]-2,6-di(propan-2-yl)aniline?
The InChIKey is ZBWIHXZIICHUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN2/c1-13(2)16-8-6-9-17(14(3)4)19(16)21-12-11-15-7-5-10-18(20)22-15/h5-10,13-14,21H,11-12H2,1-4H3.
What are the key properties of N-[2-(6-bromo-2-pyridinyl)ethyl]-2,6-di(propan-2-yl)aniline?
N-[2-(6-bromo-2-pyridinyl)ethyl]-2,6-di(propan-2-yl)aniline has a molecular weight of 361.33 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-bromo-2-pyridinyl)ethyl]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 175069379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).