(2,4-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanamine

C17H19Br2N — CID 107946916

IUPAC(2,4-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1cccc(C(N)c2ccc(Br)cc2Br)c1
InChIInChI=1S/C17H19Br2N/c1-11(2)8-12-4-3-5-13(9-12)17(20)15-7-6-14(18)10-16(15)19/h3-7,9-11,17H,8,20H2,1-2H3
InChIKeyZKNIEPQEABFEFV-UHFFFAOYSA-N
MW397.15 g/mol
LogP5.46
Rot. Bonds4

About (2,4-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanamine

(2,4-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanamine (PubChem CID 107946916) has the molecular formula C17H19Br2N and a molecular weight of 397.15 g/mol. Its IUPAC name is (2,4-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name(2,4-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
PubChem CID107946916
Molecular FormulaC17H19Br2N
Molecular Weight397.15 g/mol
Exact Mass394.99
IUPAC Name(2,4-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1cccc(C(N)c2ccc(Br)cc2Br)c1
InChIInChI=1S/C17H19Br2N/c1-11(2)8-12-4-3-5-13(9-12)17(20)15-7-6-14(18)10-16(15)19/h3-7,9-11,17H,8,20H2,1-2H3
InChIKeyZKNIEPQEABFEFV-UHFFFAOYSA-N
XLogP5.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.15
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-dibromophenyl)-(3-ethylphenyl)methanamine
CID 107946458
[(2,4-dibromophenyl)-[3-(2-methylpropyl)phenyl]methyl]hydrazine
CID 107948551
(4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543839
(2,5-dibromothiophen-3-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 107969258
(4-bromo-3,5-dimethylphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 114330154
[(2,5-dibromophenyl)-[3-(2-methylpropyl)phenyl]methyl]hydrazine
CID 105340701
(2,3-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050770
(3-bromo-4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050773
(2,5-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 114368817
(2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanamine
CID 107945742
(5-bromothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544376
2-(4-bromophenyl)sulfanyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116544590

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of (2,4-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanamine (CID 107946916) is (2,4-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for (2,4-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for (2,4-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanamine is CC(C)Cc1cccc(C(N)c2ccc(Br)cc2Br)c1.
What is the InChIKey of (2,4-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanamine?
The InChIKey is ZKNIEPQEABFEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2N/c1-11(2)8-12-4-3-5-13(9-12)17(20)15-7-6-14(18)10-16(15)19/h3-7,9-11,17H,8,20H2,1-2H3.
What are the key properties of (2,4-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanamine?
(2,4-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanamine has a molecular weight of 397.15 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 107946916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).