N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylphenyl)methanamine

C14H15BrN2 — CID 104796752

IUPACN-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylphenyl)methanamine
SMILESCc1cccc(CNCc2cncc(Br)c2)c1
InChIInChI=1S/C14H15BrN2/c1-11-3-2-4-12(5-11)7-16-8-13-6-14(15)10-17-9-13/h2-6,9-10,16H,7-8H2,1H3
InChIKeyGZASSUQZVARCJA-UHFFFAOYSA-N
MW291.19 g/mol
LogP3.44
Rot. Bonds4

About N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylphenyl)methanamine

N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylphenyl)methanamine (PubChem CID 104796752) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylphenyl)methanamine
PubChem CID104796752
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC NameN-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylphenyl)methanamine
SMILESCc1cccc(CNCc2cncc(Br)c2)c1
InChIInChI=1S/C14H15BrN2/c1-11-3-2-4-12(5-11)7-16-8-13-6-14(15)10-17-9-13/h2-6,9-10,16H,7-8H2,1H3
InChIKeyGZASSUQZVARCJA-UHFFFAOYSA-N
XLogP3.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-3-pyridinyl)methyl]-1-pyridin-4-ylmethanamine
CID 115745327
1-(3-bromophenyl)-N-[(3,5-dimethylphenyl)methyl]methanamine
CID 54984173
3-bromo-5-[2-(bromomethyl)-3-(3-methylphenyl)propyl]pyridine
CID 104813345
1-(5-bromo-3-pyridinyl)-N-ethyl-4-(3-methylphenyl)butan-2-amine
CID 105181327
N-(1H-imidazol-5-ylmethyl)-1-(3-methylphenyl)methanamine
CID 62762804
N-[(5-bromo-3-pyridinyl)methyl]-2,4-dimethylaniline
CID 104796608
2-bromo-N-[(5-bromo-3-pyridinyl)methyl]-5-methylaniline
CID 104797103
2,6-dimethyl-4-[[(3-methylphenyl)methylamino]methyl]phenol
CID 28889201
N-[(3-methylphenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 80708063
N-[(5-bromo-3-pyridinyl)methyl]-1-(3-chloro-4-fluorophenyl)methanamine
CID 113454158
3-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-methylaniline
CID 104857012
1-(5-bromo-3-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275561

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylphenyl)methanamine?
The IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylphenyl)methanamine (CID 104796752) is N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylphenyl)methanamine.
What is the SMILES notation for N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylphenyl)methanamine?
The canonical SMILES for N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylphenyl)methanamine is Cc1cccc(CNCc2cncc(Br)c2)c1.
What is the InChIKey of N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylphenyl)methanamine?
The InChIKey is GZASSUQZVARCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-11-3-2-4-12(5-11)7-16-8-13-6-14(15)10-17-9-13/h2-6,9-10,16H,7-8H2,1H3.
What are the key properties of N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylphenyl)methanamine?
N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylphenyl)methanamine has a molecular weight of 291.19 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylphenyl)methanamine is sourced from PubChem (CID 104796752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).