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

C16H17BrFN — CID 114834058

IUPAC1-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
SMILESCC(N)(Cc1cccc(F)c1)Cc1ccccc1Br
InChIInChI=1S/C16H17BrFN/c1-16(19,10-12-5-4-7-14(18)9-12)11-13-6-2-3-8-15(13)17/h2-9H,10-11,19H2,1H3
InChIKeyBWVPSEMHZUIMKP-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.09
Rot. Bonds4

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

1-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine (PubChem CID 114834058) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
PubChem CID114834058
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name1-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
SMILESCC(N)(Cc1cccc(F)c1)Cc1ccccc1Br
InChIInChI=1S/C16H17BrFN/c1-16(19,10-12-5-4-7-14(18)9-12)11-13-6-2-3-8-15(13)17/h2-9H,10-11,19H2,1H3
InChIKeyBWVPSEMHZUIMKP-UHFFFAOYSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-3-fluorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114833945
1-(3-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
CID 115608470
2-(2-bromophenyl)-1-(3-fluorophenyl)propan-2-amine
CID 60799082
1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834017
1-(2,3-dihydro-1H-inden-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834039
5-ethylsulfonyl-1-(3-fluorophenyl)-2-methylpentan-2-amine
CID 114834078
2-N-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831536
1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
CID 102617543
1,2-bis(3-fluorophenyl)propan-2-amine
CID 60799225
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
1-(2-bromo-5-fluorophenyl)-2-methylpentan-2-amine
CID 65020022
1-(3-fluorophenyl)-2-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 114834047

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine (CID 114834058) is 1-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine is CC(N)(Cc1cccc(F)c1)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine?
The InChIKey is BWVPSEMHZUIMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-16(19,10-12-5-4-7-14(18)9-12)11-13-6-2-3-8-15(13)17/h2-9H,10-11,19H2,1H3.
What are the key properties of 1-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine?
1-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine has a molecular weight of 322.22 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 114834058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).