(4-bromo-3,5-dimethylphenyl)-[3-(2-methylpropyl)phenyl]methanamine

C19H24BrN — CID 114330154

IUPAC(4-bromo-3,5-dimethylphenyl)-[3-(2-methylpropyl)phenyl]methanamine
SMILESCc1cc(C(N)c2cccc(CC(C)C)c2)cc(C)c1Br
InChIInChI=1S/C19H24BrN/c1-12(2)8-15-6-5-7-16(11-15)19(21)17-9-13(3)18(20)14(4)10-17/h5-7,9-12,19H,8,21H2,1-4H3
InChIKeyDMAKCHDQQITIPF-UHFFFAOYSA-N
MW346.31 g/mol
LogP5.31
Rot. Bonds4

About (4-bromo-3,5-dimethylphenyl)-[3-(2-methylpropyl)phenyl]methanamine

(4-bromo-3,5-dimethylphenyl)-[3-(2-methylpropyl)phenyl]methanamine (PubChem CID 114330154) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylphenyl)-[3-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylphenyl)-[3-(2-methylpropyl)phenyl]methanamine
PubChem CID114330154
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC Name(4-bromo-3,5-dimethylphenyl)-[3-(2-methylpropyl)phenyl]methanamine
SMILESCc1cc(C(N)c2cccc(CC(C)C)c2)cc(C)c1Br
InChIInChI=1S/C19H24BrN/c1-12(2)8-15-6-5-7-16(11-15)19(21)17-9-13(3)18(20)14(4)10-17/h5-7,9-12,19H,8,21H2,1-4H3
InChIKeyDMAKCHDQQITIPF-UHFFFAOYSA-N
XLogP5.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543839
(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050742
(2,4-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 107946916
(3-bromo-4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050773
(3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543886
(5-bromothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544376
(2,5-dibromothiophen-3-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 107969258
[3-(2-methylpropyl)phenyl]-(5-methylpyrimidin-2-yl)methanamine
CID 116545007
(4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543817
1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine
CID 116543879
2-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
CID 105050722
(2,3-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050770

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylphenyl)-[3-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of (4-bromo-3,5-dimethylphenyl)-[3-(2-methylpropyl)phenyl]methanamine (CID 114330154) is (4-bromo-3,5-dimethylphenyl)-[3-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for (4-bromo-3,5-dimethylphenyl)-[3-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for (4-bromo-3,5-dimethylphenyl)-[3-(2-methylpropyl)phenyl]methanamine is Cc1cc(C(N)c2cccc(CC(C)C)c2)cc(C)c1Br.
What is the InChIKey of (4-bromo-3,5-dimethylphenyl)-[3-(2-methylpropyl)phenyl]methanamine?
The InChIKey is DMAKCHDQQITIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-12(2)8-15-6-5-7-16(11-15)19(21)17-9-13(3)18(20)14(4)10-17/h5-7,9-12,19H,8,21H2,1-4H3.
What are the key properties of (4-bromo-3,5-dimethylphenyl)-[3-(2-methylpropyl)phenyl]methanamine?
(4-bromo-3,5-dimethylphenyl)-[3-(2-methylpropyl)phenyl]methanamine has a molecular weight of 346.31 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylphenyl)-[3-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 114330154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).