1-(3,5-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine

C17H19Br2N — CID 107975019

IUPAC1-(3,5-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(NC)c2cc(Br)cc(Br)c2)cc1
InChIInChI=1S/C17H19Br2N/c1-3-4-12-5-7-13(8-6-12)17(20-2)14-9-15(18)11-16(19)10-14/h5-11,17,20H,3-4H2,1-2H3
InChIKeyOWOXFGWJUQFQKZ-UHFFFAOYSA-N
MW397.15 g/mol
LogP5.47
Rot. Bonds5

About 1-(3,5-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine

1-(3,5-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine (PubChem CID 107975019) has the molecular formula C17H19Br2N and a molecular weight of 397.15 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine
PubChem CID107975019
Molecular FormulaC17H19Br2N
Molecular Weight397.15 g/mol
Exact Mass394.99
IUPAC Name1-(3,5-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(NC)c2cc(Br)cc(Br)c2)cc1
InChIInChI=1S/C17H19Br2N/c1-3-4-12-5-7-13(8-6-12)17(20-2)14-9-15(18)11-16(19)10-14/h5-11,17,20H,3-4H2,1-2H3
InChIKeyOWOXFGWJUQFQKZ-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.15
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 107945722
1-(4-bromo-2-methylphenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 43629813
N-[(3-bromo-5-chlorophenyl)-(4-propylphenyl)methyl]ethanamine
CID 107945725
1-(3,5-dibromophenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 114022838
1-(3-bromo-5-chlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 107945351
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 43484899
N-[(3,5-dibromophenyl)-(4-ethylphenyl)methyl]ethanamine
CID 107974191
1-(3-bromo-4-ethoxyphenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine
CID 107979922
[(3-bromophenyl)-(4-propylphenyl)methyl]hydrazine
CID 105197895
N-[(4-bromophenyl)-(3,5-dibromophenyl)methyl]propan-1-amine
CID 107979789
1-(4-bromo-2-chlorophenyl)-1-(4-butylphenyl)-N-methylmethanamine
CID 43805236
1-[4-(aminomethyl)phenyl]-1-(3-bromophenyl)-N-methylmethanamine
CID 116952245

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine?
The IUPAC name of 1-(3,5-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine (CID 107975019) is 1-(3,5-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine.
What is the SMILES notation for 1-(3,5-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine?
The canonical SMILES for 1-(3,5-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine is CCCc1ccc(C(NC)c2cc(Br)cc(Br)c2)cc1.
What is the InChIKey of 1-(3,5-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine?
The InChIKey is OWOXFGWJUQFQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2N/c1-3-4-12-5-7-13(8-6-12)17(20-2)14-9-15(18)11-16(19)10-14/h5-11,17,20H,3-4H2,1-2H3.
What are the key properties of 1-(3,5-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine?
1-(3,5-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine has a molecular weight of 397.15 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromophenyl)-N-methyl-1-(4-propylphenyl)methanamine is sourced from PubChem (CID 107975019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).