2-(4-bromophenyl)-3-(4-fluorophenyl)-N-methylpropan-1-amine

C16H17BrFN — CID 79442314

IUPAC2-(4-bromophenyl)-3-(4-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrFN/c1-19-11-14(13-4-6-15(17)7-5-13)10-12-2-8-16(18)9-3-12/h2-9,14,19H,10-11H2,1H3
InChIKeyKSQYDQAUBTWMDI-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.13
Rot. Bonds5

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

2-(4-bromophenyl)-3-(4-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 79442314) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(4-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(4-fluorophenyl)-N-methylpropan-1-amine
PubChem CID79442314
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name2-(4-bromophenyl)-3-(4-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrFN/c1-19-11-14(13-4-6-15(17)7-5-13)10-12-2-8-16(18)9-3-12/h2-9,14,19H,10-11H2,1H3
InChIKeyKSQYDQAUBTWMDI-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441486
3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 79438156
2-(4-bromophenyl)-3-(4-fluorophenyl)propan-1-amine
CID 79441901
3-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
CID 104810803
2-(4-bromophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 79441806
N-methyl-2,3-bis(4-methylphenyl)propan-1-amine
CID 79437244
N-ethyl-3-(4-fluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 79436688
N-ethyl-2-(4-fluorophenyl)-3-(4-methylphenyl)propan-1-amine
CID 79442006
1-bromo-4-[1-fluoro-2-(4-fluorophenyl)ethyl]benzene
CID 154714701
3-(4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79417911
2-(4-fluorophenyl)-N-methylpent-4-en-1-amine
CID 18354439
3-(4-fluorophenyl)-4-(methylamino)butanal
CID 59011239

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(4-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-(4-bromophenyl)-3-(4-fluorophenyl)-N-methylpropan-1-amine (CID 79442314) is 2-(4-bromophenyl)-3-(4-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)-3-(4-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)-3-(4-fluorophenyl)-N-methylpropan-1-amine is CNCC(Cc1ccc(F)cc1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-(4-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is KSQYDQAUBTWMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-19-11-14(13-4-6-15(17)7-5-13)10-12-2-8-16(18)9-3-12/h2-9,14,19H,10-11H2,1H3.
What are the key properties of 2-(4-bromophenyl)-3-(4-fluorophenyl)-N-methylpropan-1-amine?
2-(4-bromophenyl)-3-(4-fluorophenyl)-N-methylpropan-1-amine has a molecular weight of 322.22 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-(4-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 79442314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).