3-(2,3-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine

C13H19F2N — CID 62723528

IUPAC3-(2,3-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNCC(C)(C)Cc1cccc(F)c1F
InChIInChI=1S/C13H19F2N/c1-4-16-9-13(2,3)8-10-6-5-7-11(14)12(10)15/h5-7,16H,4,8-9H2,1-3H3
InChIKeyCKYQDLZLWXESRG-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.14
Rot. Bonds5

About 3-(2,3-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine

3-(2,3-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine (PubChem CID 62723528) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
PubChem CID62723528
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-(2,3-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNCC(C)(C)Cc1cccc(F)c1F
InChIInChI=1S/C13H19F2N/c1-4-16-9-13(2,3)8-10-6-5-7-11(14)12(10)15/h5-7,16H,4,8-9H2,1-3H3
InChIKeyCKYQDLZLWXESRG-UHFFFAOYSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-dimethylbutyl)-2,3-difluorobenzene
CID 135277265
4-(2,3-difluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 81021988
3-(5-chloro-2-fluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 103049675
3-(2-chlorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 62725326
1-(4-chloro-2,2-dimethylpentyl)-2,3-difluorobenzene
CID 64715152
N-ethyl-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 62724934
3-(2-fluorophenyl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 62723351
N-[(2,3-difluorophenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 113434288
3-(2-fluorophenyl)-N,2,2-trimethylpropan-1-amine
CID 62724113
N-ethyl-2-(2-fluorophenyl)-2-methylpropan-1-amine
CID 62596416
2-[(2,3-difluorophenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83151325
N-[(2,3-difluorophenyl)methyl]-3-methylpentan-3-amine
CID 115630727

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(2,3-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine (CID 62723528) is 3-(2,3-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2,3-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(2,3-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine is CCNCC(C)(C)Cc1cccc(F)c1F.
What is the InChIKey of 3-(2,3-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine?
The InChIKey is CKYQDLZLWXESRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-4-16-9-13(2,3)8-10-6-5-7-11(14)12(10)15/h5-7,16H,4,8-9H2,1-3H3.
What are the key properties of 3-(2,3-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine?
3-(2,3-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine has a molecular weight of 227.30 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 62723528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).