N-[(2-bromophenyl)methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine

C18H18BrN3 — CID 55464118

IUPACN-[(2-bromophenyl)methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine
SMILESBrc1ccccc1CNCc1ccccc1Cn1cccn1
InChIInChI=1S/C18H18BrN3/c19-18-9-4-3-7-16(18)13-20-12-15-6-1-2-8-17(15)14-22-11-5-10-21-22/h1-11,20H,12-14H2
InChIKeyIGAOEFKLIRMBCM-UHFFFAOYSA-N
MW356.27 g/mol
LogP3.98
Rot. Bonds6

About N-[(2-bromophenyl)methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine

N-[(2-bromophenyl)methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine (PubChem CID 55464118) has the molecular formula C18H18BrN3 and a molecular weight of 356.27 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine
PubChem CID55464118
Molecular FormulaC18H18BrN3
Molecular Weight356.27 g/mol
Exact Mass355.07
IUPAC NameN-[(2-bromophenyl)methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine
SMILESBrc1ccccc1CNCc1ccccc1Cn1cccn1
InChIInChI=1S/C18H18BrN3/c19-18-9-4-3-7-16(18)13-20-12-15-6-1-2-8-17(15)14-22-11-5-10-21-22/h1-11,20H,12-14H2
InChIKeyIGAOEFKLIRMBCM-UHFFFAOYSA-N
XLogP3.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.27
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 61402147
N-[[1-[(2-bromophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 62731931
1-[(2-bromo-5-fluorophenyl)methyl]-2-methyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111849446
1-(2-bromophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 28711656
1-(2-bromophenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61286252
N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 46990847
2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 24684926
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 17446645
1-ethyl-2-methyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111851028
(2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 119275741
1-ethyl-2-methyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111851027
1,1,2-trimethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111850456

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine (CID 55464118) is N-[(2-bromophenyl)methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine is Brc1ccccc1CNCc1ccccc1Cn1cccn1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine?
The InChIKey is IGAOEFKLIRMBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3/c19-18-9-4-3-7-16(18)13-20-12-15-6-1-2-8-17(15)14-22-11-5-10-21-22/h1-11,20H,12-14H2.
What are the key properties of N-[(2-bromophenyl)methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine?
N-[(2-bromophenyl)methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine has a molecular weight of 356.27 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 55464118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).