N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)-N-methylethanamine

C17H19BrClNO — CID 63456679

IUPACN-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)-N-methylethanamine
SMILESCC(c1cccc(Cl)c1)N(C)CCOc1ccc(Br)cc1
InChIInChI=1S/C17H19BrClNO/c1-13(14-4-3-5-16(19)12-14)20(2)10-11-21-17-8-6-15(18)7-9-17/h3-9,12-13H,10-11H2,1-2H3
InChIKeyZJPKIKDQUSMICJ-UHFFFAOYSA-N
MW368.70 g/mol
LogP5.17
Rot. Bonds6

About N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)-N-methylethanamine

N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)-N-methylethanamine (PubChem CID 63456679) has the molecular formula C17H19BrClNO and a molecular weight of 368.70 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)-N-methylethanamine
PubChem CID63456679
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)-N-methylethanamine
SMILESCC(c1cccc(Cl)c1)N(C)CCOc1ccc(Br)cc1
InChIInChI=1S/C17H19BrClNO/c1-13(14-4-3-5-16(19)12-14)20(2)10-11-21-17-8-6-15(18)7-9-17/h3-9,12-13H,10-11H2,1-2H3
InChIKeyZJPKIKDQUSMICJ-UHFFFAOYSA-N
XLogP5.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.70
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)ethanamine
CID 63491866
N-[2-(4-bromophenoxy)ethyl]-N-methyl-1-thiophen-2-ylethanamine
CID 60700084
4-bromo-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzenesulfonamide
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N-[1-(3-chlorophenyl)ethyl]-3,3-diethoxy-N-methylpropan-1-amine
CID 63630291
5-bromo-2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]aniline
CID 79712993
1-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980622
4-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylbutan-2-ol
CID 79326810
4-[1-(3-chlorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
CID 66455428
N'-[1-(3-chlorophenyl)ethyl]-N'-methylheptane-1,7-diamine
CID 62985951
1-N-[1-(3-chlorophenyl)ethyl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452152
N'-[1-(3-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine
CID 81080490
1-N-[1-(3-chlorophenyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490356

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)-N-methylethanamine?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)-N-methylethanamine (CID 63456679) is N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)-N-methylethanamine?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)-N-methylethanamine is CC(c1cccc(Cl)c1)N(C)CCOc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)-N-methylethanamine?
The InChIKey is ZJPKIKDQUSMICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c1-13(14-4-3-5-16(19)12-14)20(2)10-11-21-17-8-6-15(18)7-9-17/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)-N-methylethanamine?
N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)-N-methylethanamine has a molecular weight of 368.70 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 63456679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).