N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-ethoxypropan-1-amine

C13H19BrClNO — CID 113477078

IUPACN-[1-(4-bromo-2-chlorophenyl)ethyl]-2-ethoxypropan-1-amine
SMILESCCOC(C)CNC(C)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H19BrClNO/c1-4-17-9(2)8-16-10(3)12-6-5-11(14)7-13(12)15/h5-7,9-10,16H,4,8H2,1-3H3
InChIKeyWJMQIQDVGCUFGS-UHFFFAOYSA-N
MW320.66 g/mol
LogP4.18
Rot. Bonds6

About N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-ethoxypropan-1-amine

N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-ethoxypropan-1-amine (PubChem CID 113477078) has the molecular formula C13H19BrClNO and a molecular weight of 320.66 g/mol. Its IUPAC name is N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromo-2-chlorophenyl)ethyl]-2-ethoxypropan-1-amine
PubChem CID113477078
Molecular FormulaC13H19BrClNO
Molecular Weight320.66 g/mol
Exact Mass319.03
IUPAC NameN-[1-(4-bromo-2-chlorophenyl)ethyl]-2-ethoxypropan-1-amine
SMILESCCOC(C)CNC(C)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H19BrClNO/c1-4-17-9(2)8-16-10(3)12-6-5-11(14)7-13(12)15/h5-7,9-10,16H,4,8H2,1-3H3
InChIKeyWJMQIQDVGCUFGS-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.66
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 82776337
3-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-methylpropanenitrile
CID 82773340
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dicyclopropylethanamine
CID 82774515
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460430
1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82773811
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 82773345
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylpentan-3-amine
CID 82774823
N-[1-(4-bromo-2-chlorophenyl)ethyl]-7-methyloctan-1-amine
CID 82773597
2-[[1-(4-bromo-2-chlorophenyl)ethylamino]methyl]phenol
CID 114331621
1-(4-bromo-2-chlorophenyl)-N-(2-methylsulfonylethyl)ethanamine
CID 82773613
N-[2-[1-(4-bromo-2-chlorophenyl)ethylamino]ethyl]methanesulfonamide
CID 82773914
1-(4-bromo-2-chlorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]ethanamine
CID 82774821

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-ethoxypropan-1-amine?
The IUPAC name of N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-ethoxypropan-1-amine (CID 113477078) is N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-ethoxypropan-1-amine.
What is the SMILES notation for N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-ethoxypropan-1-amine?
The canonical SMILES for N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-ethoxypropan-1-amine is CCOC(C)CNC(C)c1ccc(Br)cc1Cl.
What is the InChIKey of N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-ethoxypropan-1-amine?
The InChIKey is WJMQIQDVGCUFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClNO/c1-4-17-9(2)8-16-10(3)12-6-5-11(14)7-13(12)15/h5-7,9-10,16H,4,8H2,1-3H3.
What are the key properties of N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-ethoxypropan-1-amine?
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-ethoxypropan-1-amine has a molecular weight of 320.66 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-ethoxypropan-1-amine is sourced from PubChem (CID 113477078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).