1-(2-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-amine

C17H19BrFN — CID 64768948

IUPAC1-(2-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-amine
SMILESCC(C)(c1ccc(F)cc1)C(N)Cc1ccccc1Br
InChIInChI=1S/C17H19BrFN/c1-17(2,13-7-9-14(19)10-8-13)16(20)11-12-5-3-4-6-15(12)18/h3-10,16H,11,20H2,1-2H3
InChIKeyJOKGIHVJYOXDPF-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.44
Rot. Bonds4

About 1-(2-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-amine

1-(2-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-amine (PubChem CID 64768948) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-amine
PubChem CID64768948
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name1-(2-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-amine
SMILESCC(C)(c1ccc(F)cc1)C(N)Cc1ccccc1Br
InChIInChI=1S/C17H19BrFN/c1-17(2,13-7-9-14(19)10-8-13)16(20)11-12-5-3-4-6-15(12)18/h3-10,16H,11,20H2,1-2H3
InChIKeyJOKGIHVJYOXDPF-UHFFFAOYSA-N
XLogP4.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-fluorophenyl)-3-methyl-1-(2-methylphenyl)butan-2-amine
CID 64769730
1-(2-bromo-5-fluorophenyl)-3-methyl-3-phenylbutan-2-amine
CID 63086064
1-(2-bromophenyl)-3-(4-fluorophenyl)-N,3-dimethylbutan-2-amine
CID 64768760
1-(2-bromophenyl)-3,3-difluorobutan-2-amine
CID 84711182
(2R)-3-(2-bromophenyl)-1,1,1-trifluoropropan-2-amine
CID 97110840
4-(4-fluorophenyl)-4-methyl-1-phenylpentan-3-amine
CID 64768756
2-(2-bromophenyl)-1-(4-tert-butylphenyl)ethanamine
CID 63419920
3-(2-bromophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 79442108
1-cyclopropyl-3-(4-fluorophenyl)-3-methylbutan-2-amine
CID 64904886
[1-(2-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-yl]hydrazine
CID 105223616
1-bromo-2-(3,3,3-trifluoro-2-methylpropyl)benzene
CID 134968828
3-methyl-1,3-diphenylbutan-2-amine
CID 63086399

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-amine (CID 64768948) is 1-(2-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-amine is CC(C)(c1ccc(F)cc1)C(N)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-amine?
The InChIKey is JOKGIHVJYOXDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-17(2,13-7-9-14(19)10-8-13)16(20)11-12-5-3-4-6-15(12)18/h3-10,16H,11,20H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-amine?
1-(2-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-amine has a molecular weight of 336.25 g/mol, XLogP of 4.44, 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-(4-fluorophenyl)-3-methylbutan-2-amine is sourced from PubChem (CID 64768948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).