N'-[2-bromo-4-(2-fluoropropan-2-yl)phenyl]ethane-1,2-diamine

C11H16BrFN2 — CID 115050946

IUPACN'-[2-bromo-4-(2-fluoropropan-2-yl)phenyl]ethane-1,2-diamine
SMILESCC(C)(F)c1ccc(NCCN)c(Br)c1
InChIInChI=1S/C11H16BrFN2/c1-11(2,13)8-3-4-10(9(12)7-8)15-6-5-14/h3-4,7,15H,5-6,14H2,1-2H3
InChIKeySPOVLVXYOWNFCO-UHFFFAOYSA-N
MW275.17 g/mol
LogP3.02
Rot. Bonds4

About N'-[2-bromo-4-(2-fluoropropan-2-yl)phenyl]ethane-1,2-diamine

N'-[2-bromo-4-(2-fluoropropan-2-yl)phenyl]ethane-1,2-diamine (PubChem CID 115050946) has the molecular formula C11H16BrFN2 and a molecular weight of 275.17 g/mol. Its IUPAC name is N'-[2-bromo-4-(2-fluoropropan-2-yl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-bromo-4-(2-fluoropropan-2-yl)phenyl]ethane-1,2-diamine
PubChem CID115050946
Molecular FormulaC11H16BrFN2
Molecular Weight275.17 g/mol
Exact Mass274.05
IUPAC NameN'-[2-bromo-4-(2-fluoropropan-2-yl)phenyl]ethane-1,2-diamine
SMILESCC(C)(F)c1ccc(NCCN)c(Br)c1
InChIInChI=1S/C11H16BrFN2/c1-11(2,13)8-3-4-10(9(12)7-8)15-6-5-14/h3-4,7,15H,5-6,14H2,1-2H3
InChIKeySPOVLVXYOWNFCO-UHFFFAOYSA-N
XLogP3.02
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-bromo-4-(trifluoromethyl)phenyl]-2-methylpentane-1,5-diamine
CID 106155250
2-bromo-N-(3-methylbutyl)-4-(trifluoromethyl)aniline
CID 115511441
N-[2-bromo-4-(trifluoromethyl)phenyl]-2-ethylbutane-1,4-diamine
CID 115512359
2-bromo-N-(2-cyclopropylethyl)-4-(trifluoromethyl)aniline
CID 113325985
N-[2-bromo-4-(trifluoromethyl)phenyl]-N',N'-dimethylpropane-1,3-diamine
CID 115511456
N-[2-bromo-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 115511431
2-bromo-4-(trifluoromethyl)-N-(5,5,5-trifluoropentyl)aniline
CID 115520630
ethyl 3-[2-bromo-4-(trifluoromethyl)anilino]propanoate
CID 113325973
2-bromo-N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)aniline
CID 115511442
2-bromo-4-(trifluoromethyl)-N-(2,3,3-trimethylbutyl)aniline
CID 83144259
2-bromo-N-[2-(2-chloroethoxy)ethyl]-4-(trifluoromethyl)aniline
CID 115512285
2-bromo-N-hex-5-ynyl-4-(trifluoromethyl)aniline
CID 106214514

Frequently Asked Questions

What is the IUPAC name of N'-[2-bromo-4-(2-fluoropropan-2-yl)phenyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-bromo-4-(2-fluoropropan-2-yl)phenyl]ethane-1,2-diamine (CID 115050946) is N'-[2-bromo-4-(2-fluoropropan-2-yl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-bromo-4-(2-fluoropropan-2-yl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-bromo-4-(2-fluoropropan-2-yl)phenyl]ethane-1,2-diamine is CC(C)(F)c1ccc(NCCN)c(Br)c1.
What is the InChIKey of N'-[2-bromo-4-(2-fluoropropan-2-yl)phenyl]ethane-1,2-diamine?
The InChIKey is SPOVLVXYOWNFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFN2/c1-11(2,13)8-3-4-10(9(12)7-8)15-6-5-14/h3-4,7,15H,5-6,14H2,1-2H3.
What are the key properties of N'-[2-bromo-4-(2-fluoropropan-2-yl)phenyl]ethane-1,2-diamine?
N'-[2-bromo-4-(2-fluoropropan-2-yl)phenyl]ethane-1,2-diamine has a molecular weight of 275.17 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-bromo-4-(2-fluoropropan-2-yl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 115050946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).