(4-bromophenyl)-[2,4-di(propan-2-yl)phenyl]methanamine

C19H24BrN — CID 43110162

IUPAC(4-bromophenyl)-[2,4-di(propan-2-yl)phenyl]methanamine
SMILESCC(C)c1ccc(C(N)c2ccc(Br)cc2)c(C(C)C)c1
InChIInChI=1S/C19H24BrN/c1-12(2)15-7-10-17(18(11-15)13(3)4)19(21)14-5-8-16(20)9-6-14/h5-13,19H,21H2,1-4H3
InChIKeyPFFSXLUHXVBQFY-UHFFFAOYSA-N
MW346.31 g/mol
LogP5.74
Rot. Bonds4

About (4-bromophenyl)-[2,4-di(propan-2-yl)phenyl]methanamine

(4-bromophenyl)-[2,4-di(propan-2-yl)phenyl]methanamine (PubChem CID 43110162) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is (4-bromophenyl)-[2,4-di(propan-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name(4-bromophenyl)-[2,4-di(propan-2-yl)phenyl]methanamine
PubChem CID43110162
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC Name(4-bromophenyl)-[2,4-di(propan-2-yl)phenyl]methanamine
SMILESCC(C)c1ccc(C(N)c2ccc(Br)cc2)c(C(C)C)c1
InChIInChI=1S/C19H24BrN/c1-12(2)15-7-10-17(18(11-15)13(3)4)19(21)14-5-8-16(20)9-6-14/h5-13,19H,21H2,1-4H3
InChIKeyPFFSXLUHXVBQFY-UHFFFAOYSA-N
XLogP5.74
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 ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanamine
CID 107945742
[2,4-di(propan-2-yl)phenyl]-(5-methylfuran-3-yl)methanamine
CID 114819810
(4-bromo-2-chlorophenyl)-(4-bromophenyl)methanamine
CID 43805136
(4-bromophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 64990399
3-[amino-(4-bromophenyl)methyl]-1,6-dimethylpyridin-2-one
CID 82525499
4-[[4-amino-3,5-di(propan-2-yl)phenyl]-(4-bromophenyl)methyl]-2,6-di(propan-2-yl)aniline
CID 68747983
(2,5-dimethylfuran-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 43464318
(4-bromophenyl)-(4-fluoro-2-methylphenyl)methanamine
CID 62791686
(2,5-dichlorothiophen-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 107960514
[2,4-di(propan-2-yl)phenyl]-(5-ethylfuran-2-yl)methanamine
CID 79094081
(4-bromophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561243
(3-chlorothiophen-2-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 80644294

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[2,4-di(propan-2-yl)phenyl]methanamine?
The IUPAC name of (4-bromophenyl)-[2,4-di(propan-2-yl)phenyl]methanamine (CID 43110162) is (4-bromophenyl)-[2,4-di(propan-2-yl)phenyl]methanamine.
What is the SMILES notation for (4-bromophenyl)-[2,4-di(propan-2-yl)phenyl]methanamine?
The canonical SMILES for (4-bromophenyl)-[2,4-di(propan-2-yl)phenyl]methanamine is CC(C)c1ccc(C(N)c2ccc(Br)cc2)c(C(C)C)c1.
What is the InChIKey of (4-bromophenyl)-[2,4-di(propan-2-yl)phenyl]methanamine?
The InChIKey is PFFSXLUHXVBQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-12(2)15-7-10-17(18(11-15)13(3)4)19(21)14-5-8-16(20)9-6-14/h5-13,19H,21H2,1-4H3.
What are the key properties of (4-bromophenyl)-[2,4-di(propan-2-yl)phenyl]methanamine?
(4-bromophenyl)-[2,4-di(propan-2-yl)phenyl]methanamine has a molecular weight of 346.31 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[2,4-di(propan-2-yl)phenyl]methanamine is sourced from PubChem (CID 43110162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).