1-(5-bromo-3-pyridinyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine

C13H11BrCl2N2 — CID 43486642

IUPAC1-(5-bromo-3-pyridinyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1cncc(Br)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H11BrCl2N2/c1-17-13(8-4-9(14)7-18-6-8)11-5-10(15)2-3-12(11)16/h2-7,13,17H,1H3
InChIKeyBKCQMDHKUKXPGK-UHFFFAOYSA-N
MW346.06 g/mol
LogP4.46
Rot. Bonds3

About 1-(5-bromo-3-pyridinyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine

1-(5-bromo-3-pyridinyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine (PubChem CID 43486642) has the molecular formula C13H11BrCl2N2 and a molecular weight of 346.06 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
PubChem CID43486642
Molecular FormulaC13H11BrCl2N2
Molecular Weight346.06 g/mol
Exact Mass343.95
IUPAC Name1-(5-bromo-3-pyridinyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1cncc(Br)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H11BrCl2N2/c1-17-13(8-4-9(14)7-18-6-8)11-5-10(15)2-3-12(11)16/h2-7,13,17H,1H3
InChIKeyBKCQMDHKUKXPGK-UHFFFAOYSA-N
XLogP4.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.06
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-3-pyridinyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482882
1-(5-bromo-2-chlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 115827656
1-(3-bromo-4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 115567194
1-(2,5-dichlorophenyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 115797603
N-[(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 43492810
1-(5-bromo-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708381
1-(5-bromo-3-pyridinyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 43482761
1-(2-bromophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 43486700
N-[(3,5-dibromophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 107974842
1-(5-bromo-3-pyridinyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
CID 43626726
1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 54967967
1-(3-chloro-4-iodophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 103215149

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine (CID 43486642) is 1-(5-bromo-3-pyridinyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine is CNC(c1cncc(Br)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine?
The InChIKey is BKCQMDHKUKXPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2N2/c1-17-13(8-4-9(14)7-18-6-8)11-5-10(15)2-3-12(11)16/h2-7,13,17H,1H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine?
1-(5-bromo-3-pyridinyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine has a molecular weight of 346.06 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 43486642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).