2-bromo-4-methyl-6-(propylaminomethyl)aniline

C11H17BrN2 — CID 143776223

IUPAC2-bromo-4-methyl-6-(propylaminomethyl)aniline
SMILESCCCNCc1cc(C)cc(Br)c1N
InChIInChI=1S/C11H17BrN2/c1-3-4-14-7-9-5-8(2)6-10(12)11(9)13/h5-6,14H,3-4,7,13H2,1-2H3
InChIKeyLZOAXGXMQDFWTP-UHFFFAOYSA-N
MW257.17 g/mol
LogP2.84
Rot. Bonds4

About 2-bromo-4-methyl-6-(propylaminomethyl)aniline

2-bromo-4-methyl-6-(propylaminomethyl)aniline (PubChem CID 143776223) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 2-bromo-4-methyl-6-(propylaminomethyl)aniline.

Molecular Properties

Compound Name2-bromo-4-methyl-6-(propylaminomethyl)aniline
PubChem CID143776223
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC Name2-bromo-4-methyl-6-(propylaminomethyl)aniline
SMILESCCCNCc1cc(C)cc(Br)c1N
InChIInChI=1S/C11H17BrN2/c1-3-4-14-7-9-5-8(2)6-10(12)11(9)13/h5-6,14H,3-4,7,13H2,1-2H3
InChIKeyLZOAXGXMQDFWTP-UHFFFAOYSA-N
XLogP2.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-[[3-[(3-bromo-2-hydroxy-5-methylphenyl)methylamino]propylamino]methyl]-4-methylphenol
CID 135362270
N-[(5-bromo-2-methylphenyl)methyl]propan-1-amine
CID 65307998
N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 61033992
N-[(7-bromo-3,5-dimethyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 81050088
N-[[5-(2,6-dibromo-4-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 43624854
3-fluoro-4-(propylaminomethyl)aniline
CID 107796533
N-[(5-methyl-2-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 114013308
N-[(5-bromo-2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 162422353
N-[(2-butan-2-ylsulfanyl-5-methylphenyl)methyl]propan-1-amine
CID 114055385
N-[(3-bromo-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 61390654
N-(2,6-dibromo-4-methylphenyl)-2-(propylamino)acetamide
CID 60648396
N-(2,6-dibromo-4-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966963

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-6-(propylaminomethyl)aniline?
The IUPAC name of 2-bromo-4-methyl-6-(propylaminomethyl)aniline (CID 143776223) is 2-bromo-4-methyl-6-(propylaminomethyl)aniline.
What is the SMILES notation for 2-bromo-4-methyl-6-(propylaminomethyl)aniline?
The canonical SMILES for 2-bromo-4-methyl-6-(propylaminomethyl)aniline is CCCNCc1cc(C)cc(Br)c1N.
What is the InChIKey of 2-bromo-4-methyl-6-(propylaminomethyl)aniline?
The InChIKey is LZOAXGXMQDFWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-3-4-14-7-9-5-8(2)6-10(12)11(9)13/h5-6,14H,3-4,7,13H2,1-2H3.
What are the key properties of 2-bromo-4-methyl-6-(propylaminomethyl)aniline?
2-bromo-4-methyl-6-(propylaminomethyl)aniline has a molecular weight of 257.17 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-6-(propylaminomethyl)aniline is sourced from PubChem (CID 143776223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).