N-[(3-bromo-5-methylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine

C15H21BrN4 — CID 105038502

IUPACN-[(3-bromo-5-methylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
SMILESCCCn1nncc1C(NCC)c1cc(C)cc(Br)c1
InChIInChI=1S/C15H21BrN4/c1-4-6-20-14(10-18-19-20)15(17-5-2)12-7-11(3)8-13(16)9-12/h7-10,15,17H,4-6H2,1-3H3
InChIKeyBUSFZAGXQFBYOZ-UHFFFAOYSA-N
MW337.27 g/mol
LogP3.46
Rot. Bonds6

About N-[(3-bromo-5-methylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine

N-[(3-bromo-5-methylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine (PubChem CID 105038502) has the molecular formula C15H21BrN4 and a molecular weight of 337.27 g/mol. Its IUPAC name is N-[(3-bromo-5-methylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-5-methylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
PubChem CID105038502
Molecular FormulaC15H21BrN4
Molecular Weight337.27 g/mol
Exact Mass336.09
IUPAC NameN-[(3-bromo-5-methylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
SMILESCCCn1nncc1C(NCC)c1cc(C)cc(Br)c1
InChIInChI=1S/C15H21BrN4/c1-4-6-20-14(10-18-19-20)15(17-5-2)12-7-11(3)8-13(16)9-12/h7-10,15,17H,4-6H2,1-3H3
InChIKeyBUSFZAGXQFBYOZ-UHFFFAOYSA-N
XLogP3.46
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-bromo-5-methylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038920
1-(3-bromo-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038575
N-[(4-bromophenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114687035
N-[(3,4-dimethylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038808
N-[(3-propyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923832
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688825
[(3-bromo-5-fluorophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105238620
N-[(2-fluoro-4-methylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038772
N-[(5-bromofuran-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038850
N-[(2-ethyl-5-methylpyrazol-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105182281
N-[(5-bromothiophen-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114687820
1-(3-bromophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114687111

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-methylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-5-methylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine (CID 105038502) is N-[(3-bromo-5-methylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-5-methylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-5-methylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine is CCCn1nncc1C(NCC)c1cc(C)cc(Br)c1.
What is the InChIKey of N-[(3-bromo-5-methylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine?
The InChIKey is BUSFZAGXQFBYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4/c1-4-6-20-14(10-18-19-20)15(17-5-2)12-7-11(3)8-13(16)9-12/h7-10,15,17H,4-6H2,1-3H3.
What are the key properties of N-[(3-bromo-5-methylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine?
N-[(3-bromo-5-methylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine has a molecular weight of 337.27 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-methylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 105038502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).