4-(2-aminobutyl)-2,6-difluoro-N-methyl-N-propan-2-ylaniline

C14H22F2N2 — CID 63787264

IUPAC4-(2-aminobutyl)-2,6-difluoro-N-methyl-N-propan-2-ylaniline
SMILESCCC(N)Cc1cc(F)c(N(C)C(C)C)c(F)c1
InChIInChI=1S/C14H22F2N2/c1-5-11(17)6-10-7-12(15)14(13(16)8-10)18(4)9(2)3/h7-9,11H,5-6,17H2,1-4H3
InChIKeyUQOSNKPGOBBCTL-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.09
Rot. Bonds5

About 4-(2-aminobutyl)-2,6-difluoro-N-methyl-N-propan-2-ylaniline

4-(2-aminobutyl)-2,6-difluoro-N-methyl-N-propan-2-ylaniline (PubChem CID 63787264) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 4-(2-aminobutyl)-2,6-difluoro-N-methyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-(2-aminobutyl)-2,6-difluoro-N-methyl-N-propan-2-ylaniline
PubChem CID63787264
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC Name4-(2-aminobutyl)-2,6-difluoro-N-methyl-N-propan-2-ylaniline
SMILESCCC(N)Cc1cc(F)c(N(C)C(C)C)c(F)c1
InChIInChI=1S/C14H22F2N2/c1-5-11(17)6-10-7-12(15)14(13(16)8-10)18(4)9(2)3/h7-9,11H,5-6,17H2,1-4H3
InChIKeyUQOSNKPGOBBCTL-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminobutyl)-2,6-difluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 115988051
4-(2-aminobutyl)-N-ethyl-2,6-difluoro-N-(2-methylbutyl)aniline
CID 79479930
[3,5-difluoro-4-[methyl(propan-2-yl)amino]phenyl]methanol
CID 63077921
5-(2-aminobutyl)-N-methyl-N-propan-2-ylpyridin-2-amine
CID 80632913
4-(2-aminobutyl)-N-butyl-N-cyclopropyl-2,6-difluoroaniline
CID 63817015
1-(4-butan-2-yloxy-3,5-difluorophenyl)butan-2-amine
CID 79887538
4-(2-aminobutyl)-2-fluoro-6-methoxyphenol;hydrochloride
CID 170889186
1-[3,5-difluoro-4-(2-methoxyethoxy)phenyl]butan-2-amine
CID 79888080
4-(2-aminobutyl)-N-(1-cyclopropylethyl)-2-fluoro-N-methylaniline
CID 63787146
1-(3-chloro-4-ethoxy-5-fluorophenyl)butan-2-amine
CID 170890061
1-[4-(2-ethoxyethoxy)-3,5-difluorophenyl]butan-2-amine
CID 79887772
1-[3,5-difluoro-4-(3-methylsulfonylpropoxy)phenyl]butan-2-amine
CID 79882804

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-2,6-difluoro-N-methyl-N-propan-2-ylaniline?
The IUPAC name of 4-(2-aminobutyl)-2,6-difluoro-N-methyl-N-propan-2-ylaniline (CID 63787264) is 4-(2-aminobutyl)-2,6-difluoro-N-methyl-N-propan-2-ylaniline.
What is the SMILES notation for 4-(2-aminobutyl)-2,6-difluoro-N-methyl-N-propan-2-ylaniline?
The canonical SMILES for 4-(2-aminobutyl)-2,6-difluoro-N-methyl-N-propan-2-ylaniline is CCC(N)Cc1cc(F)c(N(C)C(C)C)c(F)c1.
What is the InChIKey of 4-(2-aminobutyl)-2,6-difluoro-N-methyl-N-propan-2-ylaniline?
The InChIKey is UQOSNKPGOBBCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-5-11(17)6-10-7-12(15)14(13(16)8-10)18(4)9(2)3/h7-9,11H,5-6,17H2,1-4H3.
What are the key properties of 4-(2-aminobutyl)-2,6-difluoro-N-methyl-N-propan-2-ylaniline?
4-(2-aminobutyl)-2,6-difluoro-N-methyl-N-propan-2-ylaniline has a molecular weight of 256.34 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-2,6-difluoro-N-methyl-N-propan-2-ylaniline is sourced from PubChem (CID 63787264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).