N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dicyclopropylethanamine

C16H21BrClN — CID 82774515

IUPACN-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dicyclopropylethanamine
SMILESCC(NCC(C1CC1)C1CC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H21BrClN/c1-10(14-7-6-13(17)8-16(14)18)19-9-15(11-2-3-11)12-4-5-12/h6-8,10-12,15,19H,2-5,9H2,1H3
InChIKeyDQMBREGAXWKKGE-UHFFFAOYSA-N
MW342.71 g/mol
LogP5.19
Rot. Bonds6

About N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dicyclopropylethanamine

N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dicyclopropylethanamine (PubChem CID 82774515) has the molecular formula C16H21BrClN and a molecular weight of 342.71 g/mol. Its IUPAC name is N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dicyclopropylethanamine.

Molecular Properties

Compound NameN-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dicyclopropylethanamine
PubChem CID82774515
Molecular FormulaC16H21BrClN
Molecular Weight342.71 g/mol
Exact Mass341.05
IUPAC NameN-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dicyclopropylethanamine
SMILESCC(NCC(C1CC1)C1CC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H21BrClN/c1-10(14-7-6-13(17)8-16(14)18)19-9-15(11-2-3-11)12-4-5-12/h6-8,10-12,15,19H,2-5,9H2,1H3
InChIKeyDQMBREGAXWKKGE-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.71
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82773811
3-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-methylpropanenitrile
CID 82773340
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-ethoxypropan-1-amine
CID 113477078
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 82773345
1-(4-bromo-2-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 82773424
(1R)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylethanamine
CID 82773268
1-cyclopropyl-2-[1-(2,4-dichlorophenyl)ethylamino]ethanol
CID 63294934
1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 82776337
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460430
3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-cyclopropylpropanamide
CID 82773843
N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-cyclohexylpropan-1-amine
CID 82774393
N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-ethylcyclohexan-1-amine
CID 82774731

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dicyclopropylethanamine?
The IUPAC name of N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dicyclopropylethanamine (CID 82774515) is N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dicyclopropylethanamine.
What is the SMILES notation for N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dicyclopropylethanamine?
The canonical SMILES for N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dicyclopropylethanamine is CC(NCC(C1CC1)C1CC1)c1ccc(Br)cc1Cl.
What is the InChIKey of N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dicyclopropylethanamine?
The InChIKey is DQMBREGAXWKKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrClN/c1-10(14-7-6-13(17)8-16(14)18)19-9-15(11-2-3-11)12-4-5-12/h6-8,10-12,15,19H,2-5,9H2,1H3.
What are the key properties of N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dicyclopropylethanamine?
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dicyclopropylethanamine has a molecular weight of 342.71 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dicyclopropylethanamine is sourced from PubChem (CID 82774515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).