N-[(2-bromo-5-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine

C17H21BrN2 — CID 115854714

IUPACN-[(2-bromo-5-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)nc1)c1cc(C)ccc1Br
InChIInChI=1S/C17H21BrN2/c1-4-9-19-17(14-7-6-13(3)20-11-14)15-10-12(2)5-8-16(15)18/h5-8,10-11,17,19H,4,9H2,1-3H3
InChIKeyCRDKTFDEEKQBRA-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.55
Rot. Bonds5

About N-[(2-bromo-5-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine

N-[(2-bromo-5-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine (PubChem CID 115854714) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is N-[(2-bromo-5-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
PubChem CID115854714
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC NameN-[(2-bromo-5-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)nc1)c1cc(C)ccc1Br
InChIInChI=1S/C17H21BrN2/c1-4-9-19-17(14-7-6-13(3)20-11-14)15-10-12(2)5-8-16(15)18/h5-8,10-11,17,19H,4,9H2,1-3H3
InChIKeyCRDKTFDEEKQBRA-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-bromo-5-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine 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-[(4-bromo-2-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115854745
N-[(3-bromo-4-chlorophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115567849
N-[(5-chloro-2-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115854575
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105183873
N-[(2-iodophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115854533
N-[(6-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 63155815
N-[(2,4-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854963
N-[(2-bromo-5-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 115827956
N-[(2-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 81109636
N-[(2-fluoro-4,6-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 106883993
N-[(4-ethylsulfanylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 106849296
N,N-dimethyl-4-[(6-methyl-3-pyridinyl)-(propylamino)methyl]aniline
CID 105146242

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-bromo-5-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine (CID 115854714) is N-[(2-bromo-5-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-bromo-5-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-bromo-5-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1ccc(C)nc1)c1cc(C)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is CRDKTFDEEKQBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-4-9-19-17(14-7-6-13(3)20-11-14)15-10-12(2)5-8-16(15)18/h5-8,10-11,17,19H,4,9H2,1-3H3.
What are the key properties of N-[(2-bromo-5-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine?
N-[(2-bromo-5-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 333.27 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 115854714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).