1-(4-bromo-2-chlorophenyl)-1-(4-butylphenyl)-N-methylmethanamine

C18H21BrClN — CID 43805236

IUPAC1-(4-bromo-2-chlorophenyl)-1-(4-butylphenyl)-N-methylmethanamine
SMILESCCCCc1ccc(C(NC)c2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C18H21BrClN/c1-3-4-5-13-6-8-14(9-7-13)18(21-2)16-11-10-15(19)12-17(16)20/h6-12,18,21H,3-5H2,1-2H3
InChIKeyHVXUOCKPNARNQI-UHFFFAOYSA-N
MW366.73 g/mol
LogP5.75
Rot. Bonds6

About 1-(4-bromo-2-chlorophenyl)-1-(4-butylphenyl)-N-methylmethanamine

1-(4-bromo-2-chlorophenyl)-1-(4-butylphenyl)-N-methylmethanamine (PubChem CID 43805236) has the molecular formula C18H21BrClN and a molecular weight of 366.73 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-1-(4-butylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-1-(4-butylphenyl)-N-methylmethanamine
PubChem CID43805236
Molecular FormulaC18H21BrClN
Molecular Weight366.73 g/mol
Exact Mass365.05
IUPAC Name1-(4-bromo-2-chlorophenyl)-1-(4-butylphenyl)-N-methylmethanamine
SMILESCCCCc1ccc(C(NC)c2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C18H21BrClN/c1-3-4-5-13-6-8-14(9-7-13)18(21-2)16-11-10-15(19)12-17(16)20/h6-12,18,21H,3-5H2,1-2H3
InChIKeyHVXUOCKPNARNQI-UHFFFAOYSA-N
XLogP5.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.73
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-chlorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43805207
1-(4-butylphenyl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 43484310
1-(2,4-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 107945722
1-(4-bromo-2-chlorophenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43805217
1-(4-bromo-2-methylphenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 43629813
1-(2-bromo-4-fluorophenyl)-1-(4-butylphenyl)-N-methylmethanamine
CID 43484374
1-(4-bromo-2-chlorophenyl)-N-methyl-1-phenylmethanamine
CID 43805215
1-(2-bromo-5-methylphenyl)-1-(4-butylphenyl)-N-methylmethanamine
CID 81110681
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 43484899
1-(4-bromo-2-chlorophenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105006762
1-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 43484298
1-(4-bromo-2-chlorophenyl)-N-methylundecan-1-amine
CID 115845773

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-1-(4-butylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-1-(4-butylphenyl)-N-methylmethanamine (CID 43805236) is 1-(4-bromo-2-chlorophenyl)-1-(4-butylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-1-(4-butylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-1-(4-butylphenyl)-N-methylmethanamine is CCCCc1ccc(C(NC)c2ccc(Br)cc2Cl)cc1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-1-(4-butylphenyl)-N-methylmethanamine?
The InChIKey is HVXUOCKPNARNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrClN/c1-3-4-5-13-6-8-14(9-7-13)18(21-2)16-11-10-15(19)12-17(16)20/h6-12,18,21H,3-5H2,1-2H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-1-(4-butylphenyl)-N-methylmethanamine?
1-(4-bromo-2-chlorophenyl)-1-(4-butylphenyl)-N-methylmethanamine has a molecular weight of 366.73 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-1-(4-butylphenyl)-N-methylmethanamine is sourced from PubChem (CID 43805236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).