N-[(2-bromophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine

C15H17BrN2 — CID 78942264

IUPACN-[(2-bromophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine
SMILESCCN(Cc1ccccn1)Cc1ccccc1Br
InChIInChI=1S/C15H17BrN2/c1-2-18(12-14-8-5-6-10-17-14)11-13-7-3-4-9-15(13)16/h3-10H,2,11-12H2,1H3
InChIKeyVSYQMCSZUVCXAX-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.87
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine

N-[(2-bromophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 78942264) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID78942264
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC NameN-[(2-bromophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine
SMILESCCN(Cc1ccccn1)Cc1ccccc1Br
InChIInChI=1S/C15H17BrN2/c1-2-18(12-14-8-5-6-10-17-14)11-13-7-3-4-9-15(13)16/h3-10H,2,11-12H2,1H3
InChIKeyVSYQMCSZUVCXAX-UHFFFAOYSA-N
XLogP3.87
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
2-[2-[[ethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-methylethanamine
CID 115464256
N-benzyl-N-[(2-bromophenyl)methyl]ethanamine
CID 55027071
[ethyl(pyridin-2-ylmethyl)amino]methanol
CID 20707216
N-[(2-bromophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 779150
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
2-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline
CID 107351465
N-[[5-[2-[6-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]ethyl]-2-pyridinyl]methyl]-N-(pyridin-2-ylmethyl)ethanamine;bis(pyridine)
CID 157458399
2-[[bis(pyridin-2-ylmethyl)amino]methyl]aniline
CID 69057347
1-[ethyl(pyridin-2-ylmethyl)amino]propan-2-ol
CID 78998409
N-[[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4,6-triethylphenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 15846287
2-[[(2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;bis(oxygen(2-));tungsten
CID 139162848

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine (CID 78942264) is N-[(2-bromophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine is CCN(Cc1ccccn1)Cc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is VSYQMCSZUVCXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-2-18(12-14-8-5-6-10-17-14)11-13-7-3-4-9-15(13)16/h3-10H,2,11-12H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine?
N-[(2-bromophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 305.22 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 78942264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).