N-[(3-bromo-5-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine

C15H14BrClFN — CID 79706651

IUPACN-[(3-bromo-5-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine
SMILESCN(Cc1cccc(Cl)c1)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C15H14BrClFN/c1-19(9-11-3-2-4-14(17)6-11)10-12-5-13(16)8-15(18)7-12/h2-8H,9-10H2,1H3
InChIKeyQDKNSHYCIZPMAE-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.87
Rot. Bonds4

About N-[(3-bromo-5-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine

N-[(3-bromo-5-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine (PubChem CID 79706651) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine
PubChem CID79706651
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC NameN-[(3-bromo-5-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine
SMILESCN(Cc1cccc(Cl)c1)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C15H14BrClFN/c1-19(9-11-3-2-4-14(17)6-11)10-12-5-13(16)8-15(18)7-12/h2-8H,9-10H2,1H3
InChIKeyQDKNSHYCIZPMAE-UHFFFAOYSA-N
XLogP4.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-2-(3-chloro-4-fluorophenyl)-N,N-dimethylethanamine
CID 10468896
2-[(5-Bromo-2-chlorophenyl)methyl-methylamino]acetonitrile
CID 72016700
N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropan-1-amine
CID 122609915
6-Bromo-4-chloro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole
CID 150171538
5-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2H-pyridine
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1-[(3-Bromo-6-chloro-2-fluorophenyl)methyl]piperidine
CID 171096438
1-(4-Bromo-2-chloro-5-fluorophenyl)-N,N-dimethylmethanamine
CID 172314801
1-(3-bromo-6-chloro-2-fluorophenyl)-N,N-dimethylmethanamine
CID 176010826
1-[(3-Bromophenyl)methyl]-4-[(3-chlorophenyl)methyl]piperazine
CID 1351411
(R)-N-(3-bromobenzyl)-1-(4-chlorophenyl)ethan-1-amine
CID 28645148
1-[(3-Bromophenyl)methyl]-4-[(2-chloro-4-fluorophenyl)methyl]piperazine
CID 22194534
1-[(4-Bromophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 22195385

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine (CID 79706651) is N-[(3-bromo-5-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine is CN(Cc1cccc(Cl)c1)Cc1cc(F)cc(Br)c1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine?
The InChIKey is QDKNSHYCIZPMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-19(9-11-3-2-4-14(17)6-11)10-12-5-13(16)8-15(18)7-12/h2-8H,9-10H2,1H3.
What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine?
N-[(3-bromo-5-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine has a molecular weight of 342.64 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)methyl]-1-(3-chlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 79706651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).