1-(2-bromophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine

C14H12BrCl2N — CID 43486700

IUPAC1-(2-bromophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)ccc1Cl)c1ccccc1Br
InChIInChI=1S/C14H12BrCl2N/c1-18-14(10-4-2-3-5-12(10)15)11-8-9(16)6-7-13(11)17/h2-8,14,18H,1H3
InChIKeyNHVGYVBZIGQESY-UHFFFAOYSA-N
MW345.07 g/mol
LogP5.06
Rot. Bonds3

About 1-(2-bromophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine

1-(2-bromophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine (PubChem CID 43486700) has the molecular formula C14H12BrCl2N and a molecular weight of 345.07 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
PubChem CID43486700
Molecular FormulaC14H12BrCl2N
Molecular Weight345.07 g/mol
Exact Mass342.95
IUPAC Name1-(2-bromophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)ccc1Cl)c1ccccc1Br
InChIInChI=1S/C14H12BrCl2N/c1-18-14(10-4-2-3-5-12(10)15)11-8-9(16)6-7-13(11)17/h2-8,14,18H,1H3
InChIKeyNHVGYVBZIGQESY-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.07
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43481456
1-(2-bromophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 63417166
1-(3-bromo-4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 115567194
1-(3-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 64714362
1-(2-bromophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 55079167
1-(5-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 104545863
1-(2-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43561945
1-(2-bromophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64990154
1-(3-bromo-4-fluorophenyl)-1-(2-bromophenyl)-N-methylmethanamine
CID 79746439
1-(2-bromo-4-chlorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 107987368
(1S)-1-(2-bromo-5-chlorophenyl)-N-methylethanamine
CID 131168067
1-(2,4-dichlorophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 61270437

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine (CID 43486700) is 1-(2-bromophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine is CNC(c1cc(Cl)ccc1Cl)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine?
The InChIKey is NHVGYVBZIGQESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2N/c1-18-14(10-4-2-3-5-12(10)15)11-8-9(16)6-7-13(11)17/h2-8,14,18H,1H3.
What are the key properties of 1-(2-bromophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine?
1-(2-bromophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine has a molecular weight of 345.07 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 43486700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).