1-(4-bromophenyl)-2-fluoro-2-methylpropan-1-amine

C10H13BrFN — CID 84705574

IUPAC1-(4-bromophenyl)-2-fluoro-2-methylpropan-1-amine
SMILESCC(C)(F)C(N)c1ccc(Br)cc1
InChIInChI=1S/C10H13BrFN/c1-10(2,12)9(13)7-3-5-8(11)6-4-7/h3-6,9H,13H2,1-2H3
InChIKeyWHERYZLALBFAMJ-UHFFFAOYSA-N
MW246.12 g/mol
LogP3.20
Rot. Bonds2

About 1-(4-bromophenyl)-2-fluoro-2-methylpropan-1-amine

1-(4-bromophenyl)-2-fluoro-2-methylpropan-1-amine (PubChem CID 84705574) has the molecular formula C10H13BrFN and a molecular weight of 246.12 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-fluoro-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-fluoro-2-methylpropan-1-amine
PubChem CID84705574
Molecular FormulaC10H13BrFN
Molecular Weight246.12 g/mol
Exact Mass245.02
IUPAC Name1-(4-bromophenyl)-2-fluoro-2-methylpropan-1-amine
SMILESCC(C)(F)C(N)c1ccc(Br)cc1
InChIInChI=1S/C10H13BrFN/c1-10(2,12)9(13)7-3-5-8(11)6-4-7/h3-6,9H,13H2,1-2H3
InChIKeyWHERYZLALBFAMJ-UHFFFAOYSA-N
XLogP3.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.12
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[4-(4-bromophenoxy)phenyl]-2,2,2-trifluoroethanamine
CID 66510442
(3S)-3-amino-3-(4-bromophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171246158
4-(1-amino-2,2-difluoropropyl)phenol
CID 84660941
1-(4-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine
CID 116914319
(4-bromophenyl)methanediamine
CID 68740698
(1S)-1-(4-bromophenyl)ethanamine;hydrochloride
CID 53484870
1-(4-bromophenyl)-1-fluoropropan-2-amine
CID 105490420
tert-butyl 2-amino-2-(4-bromophenyl)acetate
CID 90487455
(2S)-3-amino-2-(4-bromophenyl)butan-2-ol
CID 153252372
(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine
CID 56971822
(1R,3R)-3-amino-1-(4-bromophenyl)-4,4-dimethylpentan-1-ol
CID 171237726
(1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol
CID 59069368

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-fluoro-2-methylpropan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-2-fluoro-2-methylpropan-1-amine (CID 84705574) is 1-(4-bromophenyl)-2-fluoro-2-methylpropan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-2-fluoro-2-methylpropan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-2-fluoro-2-methylpropan-1-amine is CC(C)(F)C(N)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-fluoro-2-methylpropan-1-amine?
The InChIKey is WHERYZLALBFAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFN/c1-10(2,12)9(13)7-3-5-8(11)6-4-7/h3-6,9H,13H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-2-fluoro-2-methylpropan-1-amine?
1-(4-bromophenyl)-2-fluoro-2-methylpropan-1-amine has a molecular weight of 246.12 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-fluoro-2-methylpropan-1-amine is sourced from PubChem (CID 84705574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).