1-(2-bromophenyl)-3-(3-chlorophenoxy)-N-ethylpropan-2-amine

C17H19BrClNO — CID 105087367

IUPAC1-(2-bromophenyl)-3-(3-chlorophenoxy)-N-ethylpropan-2-amine
SMILESCCNC(COc1cccc(Cl)c1)Cc1ccccc1Br
InChIInChI=1S/C17H19BrClNO/c1-2-20-15(10-13-6-3-4-9-17(13)18)12-21-16-8-5-7-14(19)11-16/h3-9,11,15,20H,2,10,12H2,1H3
InChIKeyZIZDHKNBTJKGPP-UHFFFAOYSA-N
MW368.70 g/mol
LogP4.70
Rot. Bonds7

About 1-(2-bromophenyl)-3-(3-chlorophenoxy)-N-ethylpropan-2-amine

1-(2-bromophenyl)-3-(3-chlorophenoxy)-N-ethylpropan-2-amine (PubChem CID 105087367) has the molecular formula C17H19BrClNO and a molecular weight of 368.70 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(3-chlorophenoxy)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(3-chlorophenoxy)-N-ethylpropan-2-amine
PubChem CID105087367
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC Name1-(2-bromophenyl)-3-(3-chlorophenoxy)-N-ethylpropan-2-amine
SMILESCCNC(COc1cccc(Cl)c1)Cc1ccccc1Br
InChIInChI=1S/C17H19BrClNO/c1-2-20-15(10-13-6-3-4-9-17(13)18)12-21-16-8-5-7-14(19)11-16/h3-9,11,15,20H,2,10,12H2,1H3
InChIKeyZIZDHKNBTJKGPP-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.70
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenoxy)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 105086778
1-(3-chlorophenoxy)-N-ethylnonan-2-amine
CID 105124587
1-(3-chlorophenoxy)-N-ethyl-6-methylheptan-2-amine
CID 105176967
1-(2-bromophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105087369
1-(2-bromophenyl)-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
CID 63415285
1-(3-chlorophenoxy)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-2-amine
CID 105158513
1-(3-chlorophenoxy)-N-ethyl-4-methylsulfonylbutan-2-amine
CID 114984084
[1-(3-chlorophenoxy)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 105289375
1-(3-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
CID 105084372
1-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-ethylpropan-2-amine
CID 106868115
1-(3-chlorophenoxy)-N-ethyl-3-(oxan-4-yl)propan-2-amine
CID 105138600
1-(4-bromo-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine
CID 105137093

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(3-chlorophenoxy)-N-ethylpropan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-3-(3-chlorophenoxy)-N-ethylpropan-2-amine (CID 105087367) is 1-(2-bromophenyl)-3-(3-chlorophenoxy)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-(3-chlorophenoxy)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-(3-chlorophenoxy)-N-ethylpropan-2-amine is CCNC(COc1cccc(Cl)c1)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(3-chlorophenoxy)-N-ethylpropan-2-amine?
The InChIKey is ZIZDHKNBTJKGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c1-2-20-15(10-13-6-3-4-9-17(13)18)12-21-16-8-5-7-14(19)11-16/h3-9,11,15,20H,2,10,12H2,1H3.
What are the key properties of 1-(2-bromophenyl)-3-(3-chlorophenoxy)-N-ethylpropan-2-amine?
1-(2-bromophenyl)-3-(3-chlorophenoxy)-N-ethylpropan-2-amine has a molecular weight of 368.70 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(3-chlorophenoxy)-N-ethylpropan-2-amine is sourced from PubChem (CID 105087367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).