(2-bromo-3-methylphenyl)-(2,4-dichlorophenyl)methanamine

C14H12BrCl2N — CID 107981990

IUPAC(2-bromo-3-methylphenyl)-(2,4-dichlorophenyl)methanamine
SMILESCc1cccc(C(N)c2ccc(Cl)cc2Cl)c1Br
InChIInChI=1S/C14H12BrCl2N/c1-8-3-2-4-11(13(8)15)14(18)10-6-5-9(16)7-12(10)17/h2-7,14H,18H2,1H3
InChIKeyFTIHXNYMNFYNDV-UHFFFAOYSA-N
MW345.07 g/mol
LogP5.11
Rot. Bonds2

About (2-bromo-3-methylphenyl)-(2,4-dichlorophenyl)methanamine

(2-bromo-3-methylphenyl)-(2,4-dichlorophenyl)methanamine (PubChem CID 107981990) has the molecular formula C14H12BrCl2N and a molecular weight of 345.07 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-(2,4-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-(2,4-dichlorophenyl)methanamine
PubChem CID107981990
Molecular FormulaC14H12BrCl2N
Molecular Weight345.07 g/mol
Exact Mass342.95
IUPAC Name(2-bromo-3-methylphenyl)-(2,4-dichlorophenyl)methanamine
SMILESCc1cccc(C(N)c2ccc(Cl)cc2Cl)c1Br
InChIInChI=1S/C14H12BrCl2N/c1-8-3-2-4-11(13(8)15)14(18)10-6-5-9(16)7-12(10)17/h2-7,14H,18H2,1H3
InChIKeyFTIHXNYMNFYNDV-UHFFFAOYSA-N
XLogP5.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.07
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107982138
(5-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 65307651
(2-bromo-3-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 107981848
(5-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985209
(2-bromo-3-methylphenyl)-(4-fluoronaphthalen-1-yl)methanamine
CID 107982030
(2-bromo-3-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
CID 115483655
(2-bromo-3-methylphenyl)-(4-chloro-2-fluorophenyl)methanol
CID 107985803
1-(2-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanamine
CID 107985554
(3-bromo-2-fluorophenyl)-(4-chloro-2-methylphenyl)methanamine
CID 114028370
(3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985569
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 63504339
(1R)-1-(2-bromo-3-methylphenyl)ethanamine
CID 96955711

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-(2,4-dichlorophenyl)methanamine?
The IUPAC name of (2-bromo-3-methylphenyl)-(2,4-dichlorophenyl)methanamine (CID 107981990) is (2-bromo-3-methylphenyl)-(2,4-dichlorophenyl)methanamine.
What is the SMILES notation for (2-bromo-3-methylphenyl)-(2,4-dichlorophenyl)methanamine?
The canonical SMILES for (2-bromo-3-methylphenyl)-(2,4-dichlorophenyl)methanamine is Cc1cccc(C(N)c2ccc(Cl)cc2Cl)c1Br.
What is the InChIKey of (2-bromo-3-methylphenyl)-(2,4-dichlorophenyl)methanamine?
The InChIKey is FTIHXNYMNFYNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2N/c1-8-3-2-4-11(13(8)15)14(18)10-6-5-9(16)7-12(10)17/h2-7,14H,18H2,1H3.
What are the key properties of (2-bromo-3-methylphenyl)-(2,4-dichlorophenyl)methanamine?
(2-bromo-3-methylphenyl)-(2,4-dichlorophenyl)methanamine has a molecular weight of 345.07 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-methylphenyl)-(2,4-dichlorophenyl)methanamine is sourced from PubChem (CID 107981990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).