2-(4-bromophenyl)-1-(2,5-dichlorophenyl)propan-2-amine

C15H14BrCl2N — CID 65316676

IUPAC2-(4-bromophenyl)-1-(2,5-dichlorophenyl)propan-2-amine
SMILESCC(N)(Cc1cc(Cl)ccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrCl2N/c1-15(19,11-2-4-12(16)5-3-11)9-10-8-13(17)6-7-14(10)18/h2-8H,9,19H2,1H3
InChIKeyNECFJJOJJMNCDQ-UHFFFAOYSA-N
MW359.09 g/mol
LogP5.17
Rot. Bonds3

About 2-(4-bromophenyl)-1-(2,5-dichlorophenyl)propan-2-amine

2-(4-bromophenyl)-1-(2,5-dichlorophenyl)propan-2-amine (PubChem CID 65316676) has the molecular formula C15H14BrCl2N and a molecular weight of 359.09 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(2,5-dichlorophenyl)propan-2-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(2,5-dichlorophenyl)propan-2-amine
PubChem CID65316676
Molecular FormulaC15H14BrCl2N
Molecular Weight359.09 g/mol
Exact Mass356.97
IUPAC Name2-(4-bromophenyl)-1-(2,5-dichlorophenyl)propan-2-amine
SMILESCC(N)(Cc1cc(Cl)ccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrCl2N/c1-15(19,11-2-4-12(16)5-3-11)9-10-8-13(17)6-7-14(10)18/h2-8H,9,19H2,1H3
InChIKeyNECFJJOJJMNCDQ-UHFFFAOYSA-N
XLogP5.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.09
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]-1,4-dichlorobenzene
CID 79443813
1-(4-bromo-2-fluorophenyl)-2-(4-bromophenyl)propan-2-amine
CID 55187150
1-(4-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 55186959
1-(5-chloro-2-fluorophenyl)-2-phenylpropan-2-amine
CID 103047839
2-(4-bromophenyl)-1-(2-fluorophenyl)propan-2-amine
CID 60799509
1-(2,4-dichlorophenyl)-2-phenylpropan-2-amine
CID 62621984
2-(3-bromo-2,2-dimethylpropyl)-1,4-dichlorobenzene
CID 66048184
1-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-2-amine
CID 55096347
1-(2-bromo-4-fluorophenyl)-2-(4-bromophenyl)propan-2-amine
CID 63408189
1-(5-bromo-2-fluorophenyl)-2-phenylpropan-2-amine
CID 55096060
2-[2-(bromomethyl)-2-methylbutyl]-1,4-dichlorobenzene
CID 66050273
4-bromo-N-[(2,5-dichlorophenyl)methyl]aniline
CID 65315845

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(2,5-dichlorophenyl)propan-2-amine?
The IUPAC name of 2-(4-bromophenyl)-1-(2,5-dichlorophenyl)propan-2-amine (CID 65316676) is 2-(4-bromophenyl)-1-(2,5-dichlorophenyl)propan-2-amine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(2,5-dichlorophenyl)propan-2-amine?
The canonical SMILES for 2-(4-bromophenyl)-1-(2,5-dichlorophenyl)propan-2-amine is CC(N)(Cc1cc(Cl)ccc1Cl)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-(2,5-dichlorophenyl)propan-2-amine?
The InChIKey is NECFJJOJJMNCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2N/c1-15(19,11-2-4-12(16)5-3-11)9-10-8-13(17)6-7-14(10)18/h2-8H,9,19H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(2,5-dichlorophenyl)propan-2-amine?
2-(4-bromophenyl)-1-(2,5-dichlorophenyl)propan-2-amine has a molecular weight of 359.09 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(2,5-dichlorophenyl)propan-2-amine is sourced from PubChem (CID 65316676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).