1-(3-bromophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine

C16H16BrClFN — CID 82806063

IUPAC1-(3-bromophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1cccc(Br)c1)Cc1cccc(Cl)c1F
InChIInChI=1S/C16H16BrClFN/c1-20-14(9-11-4-2-6-13(17)8-11)10-12-5-3-7-15(18)16(12)19/h2-8,14,20H,9-10H2,1H3
InChIKeyCUOQNGSBZJLJPI-UHFFFAOYSA-N
MW356.67 g/mol
LogP4.61
Rot. Bonds5

About 1-(3-bromophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine

1-(3-bromophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine (PubChem CID 82806063) has the molecular formula C16H16BrClFN and a molecular weight of 356.67 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
PubChem CID82806063
Molecular FormulaC16H16BrClFN
Molecular Weight356.67 g/mol
Exact Mass355.01
IUPAC Name1-(3-bromophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1cccc(Br)c1)Cc1cccc(Cl)c1F
InChIInChI=1S/C16H16BrClFN/c1-20-14(9-11-4-2-6-13(17)8-11)10-12-5-3-7-15(18)16(12)19/h2-8,14,20H,9-10H2,1H3
InChIKeyCUOQNGSBZJLJPI-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.67
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 60819594
1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 103039859
1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 82806392
1-(3-bromophenyl)-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 60819427
1-(2-chloro-3-fluorophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 115983977
1-(3-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-2-amine
CID 102857527
1-(3-bromo-4-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 63414842
1-(3-chloro-2-fluorophenyl)-3-methoxy-N-methylpropan-2-amine
CID 82805474
1-(3-chloro-2-fluorophenyl)-N-methylpent-4-en-2-amine
CID 82805465
1-(3-chloro-2-fluorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 102857611
1-(5-bromo-2-fluorophenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 62601970
1-(3-bromophenyl)-N-methylpent-4-yn-2-amine
CID 62234429

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine (CID 82806063) is 1-(3-bromophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine is CNC(Cc1cccc(Br)c1)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-bromophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine?
The InChIKey is CUOQNGSBZJLJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFN/c1-20-14(9-11-4-2-6-13(17)8-11)10-12-5-3-7-15(18)16(12)19/h2-8,14,20H,9-10H2,1H3.
What are the key properties of 1-(3-bromophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine?
1-(3-bromophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine has a molecular weight of 356.67 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 82806063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).