N-[(6-bromo-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine

C14H15BrN2 — CID 130604297

IUPACN-[(6-bromo-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine
SMILESCN(Cc1ccccc1)Cc1cccc(Br)n1
InChIInChI=1S/C14H15BrN2/c1-17(10-12-6-3-2-4-7-12)11-13-8-5-9-14(15)16-13/h2-9H,10-11H2,1H3
InChIKeyCFRLWZCBUNTFSX-UHFFFAOYSA-N
MW291.19 g/mol
LogP3.48
Rot. Bonds4

About N-[(6-bromo-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine

N-[(6-bromo-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine (PubChem CID 130604297) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is N-[(6-bromo-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(6-bromo-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine
PubChem CID130604297
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC NameN-[(6-bromo-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine
SMILESCN(Cc1ccccc1)Cc1cccc(Br)n1
InChIInChI=1S/C14H15BrN2/c1-17(10-12-6-3-2-4-7-12)11-13-8-5-9-14(15)16-13/h2-9H,10-11H2,1H3
InChIKeyCFRLWZCBUNTFSX-UHFFFAOYSA-N
XLogP3.48
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.48
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-methyl-N-[[6-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]-1-pyridin-4-ylmethanamine
CID 137379420
1-(6-bromo-2-pyridinyl)-N-methoxy-N-methylmethanamine
CID 126996740
[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine
CID 106905327
(6-bromo-2-pyridinyl)methyl-(4-fluorophenyl)carbamic acid
CID 87580144
1-(4-bromophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine
CID 60712627
N-methyl-N-(naphthalen-2-ylmethyl)-1-phenylmethanamine
CID 44767910
6-[[(4-fluorophenyl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904017
1-[3-[[bis[(6-bromo-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 44598640
1-(4-fluorophenyl)-N-[(6-hydrazinyl-2-pyridinyl)methyl]-N-methylmethanamine
CID 79243570
6-bromopyridine-2-carbaldehyde;1-(6-bromo-2-pyridinyl)-N,N-dimethylmethanamine
CID 162168476
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
N-[(6-bromo-2-pyridinyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 112581995

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine?
The IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine (CID 130604297) is N-[(6-bromo-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine.
What is the SMILES notation for N-[(6-bromo-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine?
The canonical SMILES for N-[(6-bromo-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine is CN(Cc1ccccc1)Cc1cccc(Br)n1.
What is the InChIKey of N-[(6-bromo-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine?
The InChIKey is CFRLWZCBUNTFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-17(10-12-6-3-2-4-7-12)11-13-8-5-9-14(15)16-13/h2-9H,10-11H2,1H3.
What are the key properties of N-[(6-bromo-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine?
N-[(6-bromo-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine has a molecular weight of 291.19 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 130604297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).