1-(2-bromophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine

C14H13BrCl2N2 — CID 116518849

IUPAC1-(2-bromophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine
SMILESCN(Cc1cnc(Cl)cc1Cl)Cc1ccccc1Br
InChIInChI=1S/C14H13BrCl2N2/c1-19(8-10-4-2-3-5-12(10)15)9-11-7-18-14(17)6-13(11)16/h2-7H,8-9H2,1H3
InChIKeyDAQGIXDEGXCBNN-UHFFFAOYSA-N
MW360.08 g/mol
LogP4.78
Rot. Bonds4

About 1-(2-bromophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine

1-(2-bromophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine (PubChem CID 116518849) has the molecular formula C14H13BrCl2N2 and a molecular weight of 360.08 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine
PubChem CID116518849
Molecular FormulaC14H13BrCl2N2
Molecular Weight360.08 g/mol
Exact Mass357.96
IUPAC Name1-(2-bromophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine
SMILESCN(Cc1cnc(Cl)cc1Cl)Cc1ccccc1Br
InChIInChI=1S/C14H13BrCl2N2/c1-19(8-10-4-2-3-5-12(10)15)9-11-7-18-14(17)6-13(11)16/h2-7H,8-9H2,1H3
InChIKeyDAQGIXDEGXCBNN-UHFFFAOYSA-N
XLogP4.78
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.08
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine
CID 60646435
6-[[(2-bromophenyl)methyl-methylamino]methyl]-5-chloropyridin-2-amine
CID 62891171
1-cyclopropyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine
CID 116518837
N-[(4,6-dichloro-3-pyridinyl)methyl]-3-methoxy-N-methylpropan-1-amine
CID 116518970
1-cyclobutyl-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine
CID 116518954
1-(4-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylmethanamine
CID 60646410
5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine
CID 103056062
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60776921
N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 55027528
1-[2-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 62437137
[3-bromo-4-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 102770348

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(2-bromophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine (CID 116518849) is 1-(2-bromophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine is CN(Cc1cnc(Cl)cc1Cl)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine?
The InChIKey is DAQGIXDEGXCBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrCl2N2/c1-19(8-10-4-2-3-5-12(10)15)9-11-7-18-14(17)6-13(11)16/h2-7H,8-9H2,1H3.
What are the key properties of 1-(2-bromophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine?
1-(2-bromophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine has a molecular weight of 360.08 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine is sourced from PubChem (CID 116518849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).