(2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanamine

C16H17Br2N — CID 107945742

IUPAC(2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanamine
SMILESCC(C)c1ccc(C(N)c2ccc(Br)cc2Br)cc1
InChIInChI=1S/C16H17Br2N/c1-10(2)11-3-5-12(6-4-11)16(19)14-8-7-13(17)9-15(14)18/h3-10,16H,19H2,1-2H3
InChIKeyOXIYVGFTFLSWMY-UHFFFAOYSA-N
MW383.13 g/mol
LogP5.38
Rot. Bonds3

About (2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanamine

(2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanamine (PubChem CID 107945742) has the molecular formula C16H17Br2N and a molecular weight of 383.13 g/mol. Its IUPAC name is (2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name(2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanamine
PubChem CID107945742
Molecular FormulaC16H17Br2N
Molecular Weight383.13 g/mol
Exact Mass380.97
IUPAC Name(2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanamine
SMILESCC(C)c1ccc(C(N)c2ccc(Br)cc2Br)cc1
InChIInChI=1S/C16H17Br2N/c1-10(2)11-3-5-12(6-4-11)16(19)14-8-7-13(17)9-15(14)18/h3-10,16H,19H2,1-2H3
InChIKeyOXIYVGFTFLSWMY-UHFFFAOYSA-N
XLogP5.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.13
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromophenyl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 43110162
(4-bromo-2-chlorophenyl)-(4-bromophenyl)methanamine
CID 43805136
(2-bromo-4-chlorophenyl)-(4-chlorophenyl)methanamine
CID 114024420
(2,4-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 107946916
[1-(2,4-dibromophenyl)-2-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 107948137
(2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950477
(2,4-dibromophenyl)-(3-ethylphenyl)methanamine
CID 107946458
(3-bromo-4-propoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950919
1-amino-1-(2,4-dibromophenyl)propan-2-ol
CID 130041715
1-(2,5-dibromophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844387
(2,5-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 114368817
(4-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanamine
CID 43805138

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of (2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanamine (CID 107945742) is (2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for (2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for (2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanamine is CC(C)c1ccc(C(N)c2ccc(Br)cc2Br)cc1.
What is the InChIKey of (2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanamine?
The InChIKey is OXIYVGFTFLSWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2N/c1-10(2)11-3-5-12(6-4-11)16(19)14-8-7-13(17)9-15(14)18/h3-10,16H,19H2,1-2H3.
What are the key properties of (2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanamine?
(2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanamine has a molecular weight of 383.13 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 107945742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).