1-N-(5-bromo-2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine

C11H16BrFN2 — CID 115222052

IUPAC1-N-(5-bromo-2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCNC(C)(C)CNc1cc(Br)ccc1F
InChIInChI=1S/C11H16BrFN2/c1-11(2,14-3)7-15-10-6-8(12)4-5-9(10)13/h4-6,14-15H,7H2,1-3H3
InChIKeySGGQVWXQCPSERT-UHFFFAOYSA-N
MW275.16 g/mol
LogP3.00
Rot. Bonds4

About 1-N-(5-bromo-2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine

1-N-(5-bromo-2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 115222052) has the molecular formula C11H16BrFN2 and a molecular weight of 275.16 g/mol. Its IUPAC name is 1-N-(5-bromo-2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-bromo-2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
PubChem CID115222052
Molecular FormulaC11H16BrFN2
Molecular Weight275.16 g/mol
Exact Mass274.05
IUPAC Name1-N-(5-bromo-2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCNC(C)(C)CNc1cc(Br)ccc1F
InChIInChI=1S/C11H16BrFN2/c1-11(2,14-3)7-15-10-6-8(12)4-5-9(10)13/h4-6,14-15H,7H2,1-3H3
InChIKeySGGQVWXQCPSERT-UHFFFAOYSA-N
XLogP3.00
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 81414519
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CID 79623525
1-N-[(5-bromo-2-fluorophenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
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(2R)-1-(5-bromo-2-fluoroanilino)propan-2-ol
CID 93345470
5-bromo-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
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2-(5-bromo-2-fluoroanilino)acetic acid
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CID 114472052

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-bromo-2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-(5-bromo-2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine (CID 115222052) is 1-N-(5-bromo-2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(5-bromo-2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(5-bromo-2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine is CNC(C)(C)CNc1cc(Br)ccc1F.
What is the InChIKey of 1-N-(5-bromo-2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is SGGQVWXQCPSERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFN2/c1-11(2,14-3)7-15-10-6-8(12)4-5-9(10)13/h4-6,14-15H,7H2,1-3H3.
What are the key properties of 1-N-(5-bromo-2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine?
1-N-(5-bromo-2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 275.16 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-bromo-2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115222052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).