N-[(2-aminophenyl)methyl]-3-bromo-5-chloro-N-propan-2-ylpyridin-2-amine

C15H17BrClN3 — CID 114836412

IUPACN-[(2-aminophenyl)methyl]-3-bromo-5-chloro-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(Cc1ccccc1N)c1ncc(Cl)cc1Br
InChIInChI=1S/C15H17BrClN3/c1-10(2)20(9-11-5-3-4-6-14(11)18)15-13(16)7-12(17)8-19-15/h3-8,10H,9,18H2,1-2H3
InChIKeyGVXOMRRHSHXAKH-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.49
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-3-bromo-5-chloro-N-propan-2-ylpyridin-2-amine

N-[(2-aminophenyl)methyl]-3-bromo-5-chloro-N-propan-2-ylpyridin-2-amine (PubChem CID 114836412) has the molecular formula C15H17BrClN3 and a molecular weight of 354.68 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-3-bromo-5-chloro-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-3-bromo-5-chloro-N-propan-2-ylpyridin-2-amine
PubChem CID114836412
Molecular FormulaC15H17BrClN3
Molecular Weight354.68 g/mol
Exact Mass353.03
IUPAC NameN-[(2-aminophenyl)methyl]-3-bromo-5-chloro-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(Cc1ccccc1N)c1ncc(Cl)cc1Br
InChIInChI=1S/C15H17BrClN3/c1-10(2)20(9-11-5-3-4-6-14(11)18)15-13(16)7-12(17)8-19-15/h3-8,10H,9,18H2,1-2H3
InChIKeyGVXOMRRHSHXAKH-UHFFFAOYSA-N
XLogP4.49
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.49
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

N-[(2-aminophenyl)methyl]-5-bromo-4-methyl-N-propan-2-ylpyridin-2-amine
CID 114869638
3-[(3-bromo-5-chloro-2-pyridinyl)-propan-2-ylamino]propanenitrile
CID 114835463
N-[(2-aminophenyl)methyl]-N-propan-2-ylpyrimidin-2-amine
CID 60875898
6-[(2-aminophenyl)methyl-propan-2-ylamino]pyridine-3-carbonitrile
CID 60874951
3-bromo-N-butan-2-yl-5-chloro-N-ethylpyridin-2-amine
CID 114836698
N-[2-(aminomethyl)phenyl]-3-bromo-5-chloro-N-methylpyridin-2-amine
CID 114835457
N-[(2-aminophenyl)methyl]-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 60876647
N-[(2-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 61225311
N-[(2-aminophenyl)methyl]-5,6-dimethyl-N-propan-2-ylpyrazin-2-amine
CID 114476643
N-[(2-aminophenyl)methyl]-N-propan-2-ylfuro[3,2-c]pyridin-4-amine
CID 106535415
3-bromo-5-chloro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 114836921
N-benzyl-3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114836690

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-3-bromo-5-chloro-N-propan-2-ylpyridin-2-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-3-bromo-5-chloro-N-propan-2-ylpyridin-2-amine (CID 114836412) is N-[(2-aminophenyl)methyl]-3-bromo-5-chloro-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-3-bromo-5-chloro-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-3-bromo-5-chloro-N-propan-2-ylpyridin-2-amine is CC(C)N(Cc1ccccc1N)c1ncc(Cl)cc1Br.
What is the InChIKey of N-[(2-aminophenyl)methyl]-3-bromo-5-chloro-N-propan-2-ylpyridin-2-amine?
The InChIKey is GVXOMRRHSHXAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3/c1-10(2)20(9-11-5-3-4-6-14(11)18)15-13(16)7-12(17)8-19-15/h3-8,10H,9,18H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-3-bromo-5-chloro-N-propan-2-ylpyridin-2-amine?
N-[(2-aminophenyl)methyl]-3-bromo-5-chloro-N-propan-2-ylpyridin-2-amine has a molecular weight of 354.68 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-3-bromo-5-chloro-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 114836412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).