1-(4-bromo-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine

C16H16BrClFNO — CID 105137093

IUPAC1-(4-bromo-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine
SMILESCNC(COc1cccc(Cl)c1)Cc1ccc(Br)cc1F
InChIInChI=1S/C16H16BrClFNO/c1-20-14(7-11-5-6-12(17)8-16(11)19)10-21-15-4-2-3-13(18)9-15/h2-6,8-9,14,20H,7,10H2,1H3
InChIKeyBRSWTODUYCOAMG-UHFFFAOYSA-N
MW372.67 g/mol
LogP4.45
Rot. Bonds6

About 1-(4-bromo-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine

1-(4-bromo-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine (PubChem CID 105137093) has the molecular formula C16H16BrClFNO and a molecular weight of 372.67 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine
PubChem CID105137093
Molecular FormulaC16H16BrClFNO
Molecular Weight372.67 g/mol
Exact Mass371.01
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine
SMILESCNC(COc1cccc(Cl)c1)Cc1ccc(Br)cc1F
InChIInChI=1S/C16H16BrClFNO/c1-20-14(7-11-5-6-12(17)8-16(11)19)10-21-15-4-2-3-13(18)9-15/h2-6,8-9,14,20H,7,10H2,1H3
InChIKeyBRSWTODUYCOAMG-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.67
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine
CID 105190357
2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-methylethanamine
CID 55186986
1-(3-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
CID 105084372
1-(3-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine
CID 105165517
1-(3-chlorophenoxy)-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine
CID 105098748
1-(3-chlorophenoxy)-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 105088402
1-(3-chlorophenoxy)-3-(furan-2-yl)-N-methylpropan-2-amine
CID 105177249
1-(4-bromo-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62694239
2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-ethylethanamine
CID 63412537
3-(4-bromo-2-fluorophenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 79093587
1-(2-bromophenyl)-3-(3-chlorophenoxy)-N-ethylpropan-2-amine
CID 105087367
[1-(4-bromo-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105205131

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine (CID 105137093) is 1-(4-bromo-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine is CNC(COc1cccc(Cl)c1)Cc1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine?
The InChIKey is BRSWTODUYCOAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFNO/c1-20-14(7-11-5-6-12(17)8-16(11)19)10-21-15-4-2-3-13(18)9-15/h2-6,8-9,14,20H,7,10H2,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine?
1-(4-bromo-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine has a molecular weight of 372.67 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine is sourced from PubChem (CID 105137093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).