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

C16H17BrClNO — CID 63491866

IUPACN-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)ethanamine
SMILESCC(NCCOc1ccc(Br)cc1)c1cccc(Cl)c1
InChIInChI=1S/C16H17BrClNO/c1-12(13-3-2-4-15(18)11-13)19-9-10-20-16-7-5-14(17)6-8-16/h2-8,11-12,19H,9-10H2,1H3
InChIKeyADZDABHYXOOCOD-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.83
Rot. Bonds6

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

N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)ethanamine (PubChem CID 63491866) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)ethanamine.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)ethanamine
PubChem CID63491866
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)ethanamine
SMILESCC(NCCOc1ccc(Br)cc1)c1cccc(Cl)c1
InChIInChI=1S/C16H17BrClNO/c1-12(13-3-2-4-15(18)11-13)19-9-10-20-16-7-5-14(17)6-8-16/h2-8,11-12,19H,9-10H2,1H3
InChIKeyADZDABHYXOOCOD-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(3-bromophenyl)-N-(2-phenoxyethyl)ethanamine
CID 81381212
1-(4-bromophenoxy)-3-[1-(3-chlorophenyl)ethylamino]propan-2-ol;hydrochloride
CID 138960458
(1R)-N-[2-(3-bromophenoxy)ethyl]-1-(3-bromophenyl)ethanamine
CID 81381208
(1S)-N-[(4-bromophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 28649443
(1R)-N-[2-(4-bromophenoxy)ethyl]-1-(2-chlorophenyl)ethanamine
CID 81379643
N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)-N-methylethanamine
CID 63456679
(1S)-N-[2-(4-methoxyphenoxy)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 95972955
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28721510
(1S)-1-(3-chlorophenyl)-N-[2-(3-methoxypropoxy)ethyl]ethanamine
CID 103179257
N-[2-(4-bromophenoxy)ethyl]-1-[4-(2-methoxyphenyl)phenyl]ethanamine
CID 166385004
(1S)-N-[2-(4-bromophenoxy)ethyl]-1-thiophen-2-ylethanamine
CID 81408946
N-[2-(4-bromophenoxy)ethyl]-1-(2-methylphenyl)ethanamine
CID 63490336

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)ethanamine?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)ethanamine (CID 63491866) is N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)ethanamine.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)ethanamine?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)ethanamine is CC(NCCOc1ccc(Br)cc1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)ethanamine?
The InChIKey is ADZDABHYXOOCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-12(13-3-2-4-15(18)11-13)19-9-10-20-16-7-5-14(17)6-8-16/h2-8,11-12,19H,9-10H2,1H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)ethanamine?
N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)ethanamine has a molecular weight of 354.68 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 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)ethanamine is sourced from PubChem (CID 63491866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).