2-(3-chloro-2-fluorophenyl)-N,2-dimethylpropan-1-amine

C11H15ClFN — CID 82805898

IUPAC2-(3-chloro-2-fluorophenyl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)c1cccc(Cl)c1F
InChIInChI=1S/C11H15ClFN/c1-11(2,7-14-3)8-5-4-6-9(12)10(8)13/h4-6,14H,7H2,1-3H3
InChIKeyDLHXOFWHZSMCMY-UHFFFAOYSA-N
MW215.70 g/mol
LogP2.98
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-N,2-dimethylpropan-1-amine

2-(3-chloro-2-fluorophenyl)-N,2-dimethylpropan-1-amine (PubChem CID 82805898) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-N,2-dimethylpropan-1-amine
PubChem CID82805898
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name2-(3-chloro-2-fluorophenyl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)c1cccc(Cl)c1F
InChIInChI=1S/C11H15ClFN/c1-11(2,7-14-3)8-5-4-6-9(12)10(8)13/h4-6,14H,7H2,1-3H3
InChIKeyDLHXOFWHZSMCMY-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-(3-chloro-2-fluorophenyl)-2-methylpropan-1-amine
CID 82806549
4-[[2-(3-chloro-2-fluorophenyl)-2-methylpropyl]carbamoylamino]butanoic acid
CID 122010326
2-(7-chloro-1-methylindol-3-yl)-N,2-dimethylpropan-1-amine
CID 84634147
4-[[[2-(3-chloro-2-fluorophenyl)-2-methylpropyl]carbamoylamino]methyl]benzamide
CID 166218718
2-fluoro-1-methyl-3-(2-methylbutan-2-yl)benzene
CID 134560935
2-[(3-chloro-2-fluorophenyl)methyl]-N,2-dimethylbut-3-en-1-amine
CID 102859320
1-[bromo(difluoro)methyl]-3-chloro-2-fluorobenzene
CID 175127177
2-(2-fluoro-3-methylphenyl)-2-methylpropan-1-amine
CID 83696433
2-(3-chloro-2-fluorophenyl)-2-fluoropropanoic acid
CID 171559889
3-(2,3-dichlorophenyl)-N,3-dimethylbutan-1-amine
CID 81022420
2-tert-butyl-N-[(3-chloro-2-fluorophenyl)methyl]aniline
CID 114487326
1-N,2-dimethyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]propane-1,2-diamine
CID 115133071

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-N,2-dimethylpropan-1-amine (CID 82805898) is 2-(3-chloro-2-fluorophenyl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-N,2-dimethylpropan-1-amine is CNCC(C)(C)c1cccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-N,2-dimethylpropan-1-amine?
The InChIKey is DLHXOFWHZSMCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-11(2,7-14-3)8-5-4-6-9(12)10(8)13/h4-6,14H,7H2,1-3H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-N,2-dimethylpropan-1-amine?
2-(3-chloro-2-fluorophenyl)-N,2-dimethylpropan-1-amine has a molecular weight of 215.70 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 82805898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).