N-[(6-bromo-2-pyridinyl)methyl]-4-propan-2-ylaniline

C15H17BrN2 — CID 112581739

IUPACN-[(6-bromo-2-pyridinyl)methyl]-4-propan-2-ylaniline
SMILESCC(C)c1ccc(NCc2cccc(Br)n2)cc1
InChIInChI=1S/C15H17BrN2/c1-11(2)12-6-8-13(9-7-12)17-10-14-4-3-5-15(16)18-14/h3-9,11,17H,10H2,1-2H3
InChIKeyAYYJODOEFXNBSU-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.58
Rot. Bonds4

About N-[(6-bromo-2-pyridinyl)methyl]-4-propan-2-ylaniline

N-[(6-bromo-2-pyridinyl)methyl]-4-propan-2-ylaniline (PubChem CID 112581739) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is N-[(6-bromo-2-pyridinyl)methyl]-4-propan-2-ylaniline.

Molecular Properties

Compound NameN-[(6-bromo-2-pyridinyl)methyl]-4-propan-2-ylaniline
PubChem CID112581739
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC NameN-[(6-bromo-2-pyridinyl)methyl]-4-propan-2-ylaniline
SMILESCC(C)c1ccc(NCc2cccc(Br)n2)cc1
InChIInChI=1S/C15H17BrN2/c1-11(2)12-6-8-13(9-7-12)17-10-14-4-3-5-15(16)18-14/h3-9,11,17H,10H2,1-2H3
InChIKeyAYYJODOEFXNBSU-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]-4-iodoaniline
CID 112581894
N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]acetamide
CID 112581693
4-[(6-bromo-2-pyridinyl)methylamino]benzonitrile
CID 112581776
N-[(6-bromo-2-pyridinyl)methyl]-4-(difluoromethoxy)aniline
CID 112581806
N-[(6-bromo-2-pyridinyl)methyl]-3,5-dichloroaniline
CID 112581737
4-[(6-bromo-2-pyridinyl)methylamino]benzenesulfonamide
CID 112581748
N-[(6-bromo-2-pyridinyl)methyl]-2-propan-2-ylaniline
CID 112581724
N-[(6-bromo-2-pyridinyl)methyl]-3-iodo-4-methylaniline
CID 112582027
N-[(6-bromo-2-pyridinyl)methyl]-3-chloro-4-methoxyaniline
CID 112581707
N-[(6-bromo-2-pyridinyl)methyl]-3-(2-methylpropoxy)aniline
CID 115938141
N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]-2-methoxyacetamide
CID 115937980
6-bromo-N-(4-propan-2-ylphenyl)pyridin-2-amine
CID 63962569

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-4-propan-2-ylaniline?
The IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-4-propan-2-ylaniline (CID 112581739) is N-[(6-bromo-2-pyridinyl)methyl]-4-propan-2-ylaniline.
What is the SMILES notation for N-[(6-bromo-2-pyridinyl)methyl]-4-propan-2-ylaniline?
The canonical SMILES for N-[(6-bromo-2-pyridinyl)methyl]-4-propan-2-ylaniline is CC(C)c1ccc(NCc2cccc(Br)n2)cc1.
What is the InChIKey of N-[(6-bromo-2-pyridinyl)methyl]-4-propan-2-ylaniline?
The InChIKey is AYYJODOEFXNBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-11(2)12-6-8-13(9-7-12)17-10-14-4-3-5-15(16)18-14/h3-9,11,17H,10H2,1-2H3.
What are the key properties of N-[(6-bromo-2-pyridinyl)methyl]-4-propan-2-ylaniline?
N-[(6-bromo-2-pyridinyl)methyl]-4-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]-4-propan-2-ylaniline is sourced from PubChem (CID 112581739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).