4-(2,3-difluorophenyl)-N,3,3-trimethylbutan-1-amine

C13H19F2N — CID 81021988

IUPAC4-(2,3-difluorophenyl)-N,3,3-trimethylbutan-1-amine
SMILESCNCCC(C)(C)Cc1cccc(F)c1F
InChIInChI=1S/C13H19F2N/c1-13(2,7-8-16-3)9-10-5-4-6-11(14)12(10)15/h4-6,16H,7-9H2,1-3H3
InChIKeyUKTZWAVLHNENHZ-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.14
Rot. Bonds5

About 4-(2,3-difluorophenyl)-N,3,3-trimethylbutan-1-amine

4-(2,3-difluorophenyl)-N,3,3-trimethylbutan-1-amine (PubChem CID 81021988) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-N,3,3-trimethylbutan-1-amine
PubChem CID81021988
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name4-(2,3-difluorophenyl)-N,3,3-trimethylbutan-1-amine
SMILESCNCCC(C)(C)Cc1cccc(F)c1F
InChIInChI=1S/C13H19F2N/c1-13(2,7-8-16-3)9-10-5-4-6-11(14)12(10)15/h4-6,16H,7-9H2,1-3H3
InChIKeyUKTZWAVLHNENHZ-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
3-(2,3-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 62723528
1-(4-chloro-2,2-dimethylpentyl)-2,3-difluorobenzene
CID 64715152
4-(3-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 81022804
3-(2-fluorophenyl)-N,2,2-trimethylpropan-1-amine
CID 62724113
4-(5-fluoro-2-methylphenyl)-N,3,3-trimethylbutan-1-amine
CID 105376290
N-[(2,3-difluorophenyl)methyl]-3-methylpentan-3-amine
CID 115630727
3-(2-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 104794636
1-(2,3-difluorophenyl)-2-methylheptan-2-ol
CID 80557812
4-(3-chloro-2-fluorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 102864418
1-(2,3-difluorophenyl)-3-methyl-3-(methylamino)butan-2-one
CID 116566564
1-(2,3-difluorophenyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol
CID 66003267

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-N,3,3-trimethylbutan-1-amine?
The IUPAC name of 4-(2,3-difluorophenyl)-N,3,3-trimethylbutan-1-amine (CID 81021988) is 4-(2,3-difluorophenyl)-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for 4-(2,3-difluorophenyl)-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for 4-(2,3-difluorophenyl)-N,3,3-trimethylbutan-1-amine is CNCCC(C)(C)Cc1cccc(F)c1F.
What is the InChIKey of 4-(2,3-difluorophenyl)-N,3,3-trimethylbutan-1-amine?
The InChIKey is UKTZWAVLHNENHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-13(2,7-8-16-3)9-10-5-4-6-11(14)12(10)15/h4-6,16H,7-9H2,1-3H3.
What are the key properties of 4-(2,3-difluorophenyl)-N,3,3-trimethylbutan-1-amine?
4-(2,3-difluorophenyl)-N,3,3-trimethylbutan-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 4-(2,3-difluorophenyl)-N,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 81021988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).