N-[2-(4-bromo-2-chlorophenyl)propyl]-2-methylpropan-2-amine

C13H19BrClN — CID 82780847

IUPACN-[2-(4-bromo-2-chlorophenyl)propyl]-2-methylpropan-2-amine
SMILESCC(CNC(C)(C)C)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H19BrClN/c1-9(8-16-13(2,3)4)11-6-5-10(14)7-12(11)15/h5-7,9,16H,8H2,1-4H3
InChIKeySEVXDELMOUPMCX-UHFFFAOYSA-N
MW304.66 g/mol
LogP4.59
Rot. Bonds3

About N-[2-(4-bromo-2-chlorophenyl)propyl]-2-methylpropan-2-amine

N-[2-(4-bromo-2-chlorophenyl)propyl]-2-methylpropan-2-amine (PubChem CID 82780847) has the molecular formula C13H19BrClN and a molecular weight of 304.66 g/mol. Its IUPAC name is N-[2-(4-bromo-2-chlorophenyl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(4-bromo-2-chlorophenyl)propyl]-2-methylpropan-2-amine
PubChem CID82780847
Molecular FormulaC13H19BrClN
Molecular Weight304.66 g/mol
Exact Mass303.04
IUPAC NameN-[2-(4-bromo-2-chlorophenyl)propyl]-2-methylpropan-2-amine
SMILESCC(CNC(C)(C)C)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H19BrClN/c1-9(8-16-13(2,3)4)11-6-5-10(14)7-12(11)15/h5-7,9,16H,8H2,1-4H3
InChIKeySEVXDELMOUPMCX-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.66
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylpentan-3-amine
CID 82774823
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460430
1-(4-bromo-2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82774226
N-[3-(4-bromo-2-chlorophenyl)-2-fluoropropyl]-2-methylpropan-2-amine
CID 107446691
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline
CID 82773321
3-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-methylpropanenitrile
CID 82773340
1-(4-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-amine
CID 112705508
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dicyclopropylethanamine
CID 82774515
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-ethoxypropan-1-amine
CID 113477078
N-[1-(4-bromo-2-chlorophenyl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 82774647
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,4-dimethylaniline
CID 82774264
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dichloroaniline
CID 82774360

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-chlorophenyl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(4-bromo-2-chlorophenyl)propyl]-2-methylpropan-2-amine (CID 82780847) is N-[2-(4-bromo-2-chlorophenyl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(4-bromo-2-chlorophenyl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(4-bromo-2-chlorophenyl)propyl]-2-methylpropan-2-amine is CC(CNC(C)(C)C)c1ccc(Br)cc1Cl.
What is the InChIKey of N-[2-(4-bromo-2-chlorophenyl)propyl]-2-methylpropan-2-amine?
The InChIKey is SEVXDELMOUPMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClN/c1-9(8-16-13(2,3)4)11-6-5-10(14)7-12(11)15/h5-7,9,16H,8H2,1-4H3.
What are the key properties of N-[2-(4-bromo-2-chlorophenyl)propyl]-2-methylpropan-2-amine?
N-[2-(4-bromo-2-chlorophenyl)propyl]-2-methylpropan-2-amine has a molecular weight of 304.66 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-chlorophenyl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82780847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).