(2,5-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanamine

C17H19Br2N — CID 114368817

IUPAC(2,5-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1ccc(C(N)c2cc(Br)ccc2Br)cc1
InChIInChI=1S/C17H19Br2N/c1-11(2)9-12-3-5-13(6-4-12)17(20)15-10-14(18)7-8-16(15)19/h3-8,10-11,17H,9,20H2,1-2H3
InChIKeySECIRGCXZMMFFH-UHFFFAOYSA-N
MW397.15 g/mol
LogP5.46
Rot. Bonds4

About (2,5-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanamine

(2,5-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanamine (PubChem CID 114368817) has the molecular formula C17H19Br2N and a molecular weight of 397.15 g/mol. Its IUPAC name is (2,5-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name(2,5-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanamine
PubChem CID114368817
Molecular FormulaC17H19Br2N
Molecular Weight397.15 g/mol
Exact Mass394.99
IUPAC Name(2,5-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1ccc(C(N)c2cc(Br)ccc2Br)cc1
InChIInChI=1S/C17H19Br2N/c1-11(2)9-12-3-5-13(6-4-12)17(20)15-10-14(18)7-8-16(15)19/h3-8,10-11,17H,9,20H2,1-2H3
InChIKeySECIRGCXZMMFFH-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

1-(2,5-dibromophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844387
(2,5-dibromothiophen-3-yl)-[4-(2-methylpropyl)phenyl]methanamine
CID 107960519
(2,4-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 107955306
(2,4-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 107946916
(6-bromonaphthalen-2-yl)-(2,5-dibromophenyl)methanamine
CID 115353747
(2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 43104550
(4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543839
(2-bromo-5-methylphenyl)-(4-ethylphenyl)methanamine
CID 81109837
4-bromo-1-[bromo-[4-(2-methylpropyl)phenyl]methyl]-2-methylbenzene
CID 63436054
1-(2,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844386
4-bromo-2-[chloro-[4-(2-methylpropyl)phenyl]methyl]-1-fluorobenzene
CID 63430619
2-(4-tert-butylphenyl)-1-(2,5-dibromophenyl)ethanamine
CID 115842956

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of (2,5-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanamine (CID 114368817) is (2,5-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for (2,5-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for (2,5-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanamine is CC(C)Cc1ccc(C(N)c2cc(Br)ccc2Br)cc1.
What is the InChIKey of (2,5-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanamine?
The InChIKey is SECIRGCXZMMFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2N/c1-11(2)9-12-3-5-13(6-4-12)17(20)15-10-14(18)7-8-16(15)19/h3-8,10-11,17H,9,20H2,1-2H3.
What are the key properties of (2,5-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanamine?
(2,5-dibromophenyl)-[4-(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 (2,5-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 114368817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).