N-[1-(3-aminophenyl)ethyl]-3-bromo-N-methylpyridin-4-amine

C14H16BrN3 — CID 113452094

IUPACN-[1-(3-aminophenyl)ethyl]-3-bromo-N-methylpyridin-4-amine
SMILESCC(c1cccc(N)c1)N(C)c1ccncc1Br
InChIInChI=1S/C14H16BrN3/c1-10(11-4-3-5-12(16)8-11)18(2)14-6-7-17-9-13(14)15/h3-10H,16H2,1-2H3
InChIKeyMDOZYGOELREAEB-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.62
Rot. Bonds3

About N-[1-(3-aminophenyl)ethyl]-3-bromo-N-methylpyridin-4-amine

N-[1-(3-aminophenyl)ethyl]-3-bromo-N-methylpyridin-4-amine (PubChem CID 113452094) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethyl]-3-bromo-N-methylpyridin-4-amine.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethyl]-3-bromo-N-methylpyridin-4-amine
PubChem CID113452094
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC NameN-[1-(3-aminophenyl)ethyl]-3-bromo-N-methylpyridin-4-amine
SMILESCC(c1cccc(N)c1)N(C)c1ccncc1Br
InChIInChI=1S/C14H16BrN3/c1-10(11-4-3-5-12(16)8-11)18(2)14-6-7-17-9-13(14)15/h3-10H,16H2,1-2H3
InChIKeyMDOZYGOELREAEB-UHFFFAOYSA-N
XLogP3.62
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-N-[1-(3-chlorophenyl)ethyl]-1-N-methylbenzene-1,4-diamine
CID 55187118
N-[1-(3-aminophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine
CID 62958579
N-[1-(3-aminophenyl)ethyl]-5-chloro-N-methylpyridin-2-amine
CID 60870394
N-[(3-aminophenyl)methyl]-3-bromo-N-propylpyridin-4-amine
CID 104777664
N-[1-(3-aminophenyl)ethyl]-2-bromo-N-methylbenzenesulfonamide
CID 43550366
3-[1-[methyl(1,3-thiazol-5-ylmethyl)amino]ethyl]aniline
CID 112640978
4-[1-(3-aminophenyl)ethyl-methylamino]benzonitrile
CID 60869632
4-[1-(3-aminophenyl)ethyl-methylamino]-1H-pyrimidin-6-one
CID 136979343
3-[(3-bromo-4-pyridinyl)-methylamino]butanenitrile
CID 104776572
N-[1-(3-aminophenyl)ethyl]-2,4-dibromo-N-methylbenzamide
CID 107937424
3-bromo-N-methyl-N-pyridin-3-ylpyridin-4-amine
CID 104778478
N'-(3-bromo-4-pyridinyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 104779291

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethyl]-3-bromo-N-methylpyridin-4-amine?
The IUPAC name of N-[1-(3-aminophenyl)ethyl]-3-bromo-N-methylpyridin-4-amine (CID 113452094) is N-[1-(3-aminophenyl)ethyl]-3-bromo-N-methylpyridin-4-amine.
What is the SMILES notation for N-[1-(3-aminophenyl)ethyl]-3-bromo-N-methylpyridin-4-amine?
The canonical SMILES for N-[1-(3-aminophenyl)ethyl]-3-bromo-N-methylpyridin-4-amine is CC(c1cccc(N)c1)N(C)c1ccncc1Br.
What is the InChIKey of N-[1-(3-aminophenyl)ethyl]-3-bromo-N-methylpyridin-4-amine?
The InChIKey is MDOZYGOELREAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-10(11-4-3-5-12(16)8-11)18(2)14-6-7-17-9-13(14)15/h3-10H,16H2,1-2H3.
What are the key properties of N-[1-(3-aminophenyl)ethyl]-3-bromo-N-methylpyridin-4-amine?
N-[1-(3-aminophenyl)ethyl]-3-bromo-N-methylpyridin-4-amine has a molecular weight of 306.21 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethyl]-3-bromo-N-methylpyridin-4-amine is sourced from PubChem (CID 113452094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).