1-(3-bromo-5-fluorophenyl)-3-(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine

C16H15BrClF2N — CID 79699824

IUPAC1-(3-bromo-5-fluorophenyl)-3-(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1cc(F)cc(Br)c1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C16H15BrClF2N/c1-21-15(6-10-4-12(17)8-14(20)5-10)7-11-2-3-13(19)9-16(11)18/h2-5,8-9,15,21H,6-7H2,1H3
InChIKeyRMQMXMRBFBGEBY-UHFFFAOYSA-N
MW374.66 g/mol
LogP4.75
Rot. Bonds5

About 1-(3-bromo-5-fluorophenyl)-3-(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine

1-(3-bromo-5-fluorophenyl)-3-(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine (PubChem CID 79699824) has the molecular formula C16H15BrClF2N and a molecular weight of 374.66 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-3-(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-3-(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
PubChem CID79699824
Molecular FormulaC16H15BrClF2N
Molecular Weight374.66 g/mol
Exact Mass373.00
IUPAC Name1-(3-bromo-5-fluorophenyl)-3-(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1cc(F)cc(Br)c1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C16H15BrClF2N/c1-21-15(6-10-4-12(17)8-14(20)5-10)7-11-2-3-13(19)9-16(11)18/h2-5,8-9,15,21H,6-7H2,1H3
InChIKeyRMQMXMRBFBGEBY-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.66
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 63419768
1-(2-chloro-4-fluorophenyl)-3-(4-ethylphenyl)-N-methylpropan-2-amine
CID 63419681
1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
CID 62600122
1-(2-chloro-4-methylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 106867013
1-(3-bromo-5-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 79700055
[1-(4-bromo-2-chlorophenyl)-3-(3,5-difluorophenyl)propan-2-yl]hydrazine
CID 105206721
1-(2-chloro-4-fluorophenyl)-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine
CID 63035807
1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 102618565
1-(2-chloro-4-fluorophenyl)-4-methoxy-N-methylbutan-2-amine
CID 62604095
1-(2-bromo-5-fluorophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-2-amine
CID 63415665
[1-(2-chloro-4-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105212582
1-(3-bromo-5-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 79701916

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine (CID 79699824) is 1-(3-bromo-5-fluorophenyl)-3-(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-3-(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-3-(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine is CNC(Cc1cc(F)cc(Br)c1)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-3-(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine?
The InChIKey is RMQMXMRBFBGEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClF2N/c1-21-15(6-10-4-12(17)8-14(20)5-10)7-11-2-3-13(19)9-16(11)18/h2-5,8-9,15,21H,6-7H2,1H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-3-(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine?
1-(3-bromo-5-fluorophenyl)-3-(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine has a molecular weight of 374.66 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-3-(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 79699824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).