1-(5-bromo-2-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine

C17H21BrN2O — CID 105026983

IUPAC1-(5-bromo-2-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
SMILESCCCOc1cncc(C(NC)c2cc(Br)ccc2C)c1
InChIInChI=1S/C17H21BrN2O/c1-4-7-21-15-8-13(10-20-11-15)17(19-3)16-9-14(18)6-5-12(16)2/h5-6,8-11,17,19H,4,7H2,1-3H3
InChIKeyOZEZCEHYYOXZIK-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.25
Rot. Bonds6

About 1-(5-bromo-2-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine

1-(5-bromo-2-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine (PubChem CID 105026983) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
PubChem CID105026983
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name1-(5-bromo-2-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
SMILESCCCOc1cncc(C(NC)c2cc(Br)ccc2C)c1
InChIInChI=1S/C17H21BrN2O/c1-4-7-21-15-8-13(10-20-11-15)17(19-3)16-9-14(18)6-5-12(16)2/h5-6,8-11,17,19H,4,7H2,1-3H3
InChIKeyOZEZCEHYYOXZIK-UHFFFAOYSA-N
XLogP4.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-2-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine 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

1-(3,4-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026781
1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026800
[(2,5-dimethylphenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105330089
N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-propoxy-3-pyridinyl)methanamine
CID 105175626
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026815
1-(3,5-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026730
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026807
1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026931
(4-bromo-3,5-dimethylphenyl)-(5-propoxy-3-pyridinyl)methanamine
CID 114330234
N-[(2,5-dibromophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
CID 105026527
1-(5-chloro-2-methylphenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 115853389
1-(6-methoxypyridazin-3-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 103374212

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine (CID 105026983) is 1-(5-bromo-2-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine is CCCOc1cncc(C(NC)c2cc(Br)ccc2C)c1.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine?
The InChIKey is OZEZCEHYYOXZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-4-7-21-15-8-13(10-20-11-15)17(19-3)16-9-14(18)6-5-12(16)2/h5-6,8-11,17,19H,4,7H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine?
1-(5-bromo-2-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine has a molecular weight of 349.27 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 105026983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).