1-[2-(3-bromo-4-fluorophenoxy)-6-chlorophenyl]butan-2-amine

C16H16BrClFNO — CID 83232907

IUPAC1-[2-(3-bromo-4-fluorophenoxy)-6-chlorophenyl]butan-2-amine
SMILESCCC(N)Cc1c(Cl)cccc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C16H16BrClFNO/c1-2-10(20)8-12-14(18)4-3-5-16(12)21-11-6-7-15(19)13(17)9-11/h3-7,9-10H,2,8,20H2,1H3
InChIKeyZIDNNMANFHYBNE-UHFFFAOYSA-N
MW372.67 g/mol
LogP5.31
Rot. Bonds5

About 1-[2-(3-bromo-4-fluorophenoxy)-6-chlorophenyl]butan-2-amine

1-[2-(3-bromo-4-fluorophenoxy)-6-chlorophenyl]butan-2-amine (PubChem CID 83232907) has the molecular formula C16H16BrClFNO and a molecular weight of 372.67 g/mol. Its IUPAC name is 1-[2-(3-bromo-4-fluorophenoxy)-6-chlorophenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(3-bromo-4-fluorophenoxy)-6-chlorophenyl]butan-2-amine
PubChem CID83232907
Molecular FormulaC16H16BrClFNO
Molecular Weight372.67 g/mol
Exact Mass371.01
IUPAC Name1-[2-(3-bromo-4-fluorophenoxy)-6-chlorophenyl]butan-2-amine
SMILESCCC(N)Cc1c(Cl)cccc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C16H16BrClFNO/c1-2-10(20)8-12-14(18)4-3-5-16(12)21-11-6-7-15(19)13(17)9-11/h3-7,9-10H,2,8,20H2,1H3
InChIKeyZIDNNMANFHYBNE-UHFFFAOYSA-N
XLogP5.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.67
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]butan-2-amine
CID 63879542
1-[2-chloro-6-(2-fluorophenoxy)phenyl]butan-2-amine
CID 63817705
1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]propan-2-amine
CID 63880238
(1R)-1-[2-(3-bromo-4-fluorophenoxy)phenyl]propan-1-amine
CID 103959458
1-(2-chloro-6-pyridin-3-yloxyphenyl)butan-2-amine
CID 63815743
1-(2-chloro-6-ethoxyphenyl)butan-2-amine
CID 114322005
1-[2-chloro-6-(2,2-difluoroethoxy)phenyl]butan-2-amine
CID 114321969
1-[2-(3-bromo-4-fluorophenoxy)-5-chlorophenyl]propan-2-amine
CID 114863443
2-(3-bromo-4-fluorophenoxy)-6-chlorobenzaldehyde
CID 83233968
1-[3-(2-chlorophenoxy)phenyl]butan-2-amine
CID 63941363
1-[4-chloro-2-(3-methoxyphenoxy)phenyl]butan-2-amine
CID 114862793
1-[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine
CID 114321998

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-4-fluorophenoxy)-6-chlorophenyl]butan-2-amine?
The IUPAC name of 1-[2-(3-bromo-4-fluorophenoxy)-6-chlorophenyl]butan-2-amine (CID 83232907) is 1-[2-(3-bromo-4-fluorophenoxy)-6-chlorophenyl]butan-2-amine.
What is the SMILES notation for 1-[2-(3-bromo-4-fluorophenoxy)-6-chlorophenyl]butan-2-amine?
The canonical SMILES for 1-[2-(3-bromo-4-fluorophenoxy)-6-chlorophenyl]butan-2-amine is CCC(N)Cc1c(Cl)cccc1Oc1ccc(F)c(Br)c1.
What is the InChIKey of 1-[2-(3-bromo-4-fluorophenoxy)-6-chlorophenyl]butan-2-amine?
The InChIKey is ZIDNNMANFHYBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFNO/c1-2-10(20)8-12-14(18)4-3-5-16(12)21-11-6-7-15(19)13(17)9-11/h3-7,9-10H,2,8,20H2,1H3.
What are the key properties of 1-[2-(3-bromo-4-fluorophenoxy)-6-chlorophenyl]butan-2-amine?
1-[2-(3-bromo-4-fluorophenoxy)-6-chlorophenyl]butan-2-amine has a molecular weight of 372.67 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-4-fluorophenoxy)-6-chlorophenyl]butan-2-amine is sourced from PubChem (CID 83232907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).