1-(4-bromo-2-chlorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine

C18H21BrClN — CID 43805207

IUPAC1-(4-bromo-2-chlorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
SMILESCNC(c1ccc(CC(C)C)cc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C18H21BrClN/c1-12(2)10-13-4-6-14(7-5-13)18(21-3)16-9-8-15(19)11-17(16)20/h4-9,11-12,18,21H,10H2,1-3H3
InChIKeyLATQIWUWRHPPML-UHFFFAOYSA-N
MW366.73 g/mol
LogP5.61
Rot. Bonds5

About 1-(4-bromo-2-chlorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine

1-(4-bromo-2-chlorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine (PubChem CID 43805207) has the molecular formula C18H21BrClN and a molecular weight of 366.73 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
PubChem CID43805207
Molecular FormulaC18H21BrClN
Molecular Weight366.73 g/mol
Exact Mass365.05
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
SMILESCNC(c1ccc(CC(C)C)cc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C18H21BrClN/c1-12(2)10-13-4-6-14(7-5-13)18(21-3)16-9-8-15(19)11-17(16)20/h4-9,11-12,18,21H,10H2,1-3H3
InChIKeyLATQIWUWRHPPML-UHFFFAOYSA-N
XLogP5.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.73
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-chlorophenyl)-1-(4-butylphenyl)-N-methylmethanamine
CID 43805236
1-(4-bromo-2-chlorophenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43805217
1-(4-bromo-2-chlorophenyl)-N-methyl-1-phenylmethanamine
CID 43805215
1-(4-bromo-2-chlorophenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105006762
1-(2-chloro-4-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 106857539
2-(4-bromophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43480571
4-bromo-1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2-methylbenzene
CID 63436054
1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480542
1-(3-chloro-5-methylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 81315749
1-(2,4-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 107945722
(2,4-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 107955306
1-(2-fluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480563

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine (CID 43805207) is 1-(4-bromo-2-chlorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine is CNC(c1ccc(CC(C)C)cc1)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine?
The InChIKey is LATQIWUWRHPPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrClN/c1-12(2)10-13-4-6-14(7-5-13)18(21-3)16-9-8-15(19)11-17(16)20/h4-9,11-12,18,21H,10H2,1-3H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine?
1-(4-bromo-2-chlorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine has a molecular weight of 366.73 g/mol, XLogP of 5.61, 5 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)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 43805207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).