4-(2-aminobutyl)-N-ethyl-2,6-difluoro-N-(2-methylbutyl)aniline

C17H28F2N2 — CID 79479930

IUPAC4-(2-aminobutyl)-N-ethyl-2,6-difluoro-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(CC)c1c(F)cc(CC(N)CC)cc1F
InChIInChI=1S/C17H28F2N2/c1-5-12(4)11-21(7-3)17-15(18)9-13(10-16(17)19)8-14(20)6-2/h9-10,12,14H,5-8,11,20H2,1-4H3
InChIKeyBKIDZNRPVFVNEJ-UHFFFAOYSA-N
MW298.42 g/mol
LogP4.12
Rot. Bonds8

About 4-(2-aminobutyl)-N-ethyl-2,6-difluoro-N-(2-methylbutyl)aniline

4-(2-aminobutyl)-N-ethyl-2,6-difluoro-N-(2-methylbutyl)aniline (PubChem CID 79479930) has the molecular formula C17H28F2N2 and a molecular weight of 298.42 g/mol. Its IUPAC name is 4-(2-aminobutyl)-N-ethyl-2,6-difluoro-N-(2-methylbutyl)aniline.

Molecular Properties

Compound Name4-(2-aminobutyl)-N-ethyl-2,6-difluoro-N-(2-methylbutyl)aniline
PubChem CID79479930
Molecular FormulaC17H28F2N2
Molecular Weight298.42 g/mol
Exact Mass298.22
IUPAC Name4-(2-aminobutyl)-N-ethyl-2,6-difluoro-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(CC)c1c(F)cc(CC(N)CC)cc1F
InChIInChI=1S/C17H28F2N2/c1-5-12(4)11-21(7-3)17-15(18)9-13(10-16(17)19)8-14(20)6-2/h9-10,12,14H,5-8,11,20H2,1-4H3
InChIKeyBKIDZNRPVFVNEJ-UHFFFAOYSA-N
XLogP4.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminobutyl)-2,6-difluoro-N-methyl-N-propan-2-ylaniline
CID 63787264
4-(2-aminobutyl)-2,6-difluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 115988051
4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(2,2,2-trifluoroethyl)aniline
CID 63795420
4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-ethyl-2,6-difluoroaniline
CID 63938764
1-(4-butan-2-yloxy-3,5-difluorophenyl)butan-2-amine
CID 79887538
4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline
CID 63795204
4-(2-aminobutyl)-2-fluoro-6-methoxyphenol;hydrochloride
CID 170889186
4-(2-aminobutyl)-N-butyl-N-ethyl-2-fluoroaniline
CID 63786416
4-(2-aminopropyl)-N,N-dibutyl-2,6-difluoroaniline
CID 63787284
4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(2-methylbutyl)aniline
CID 79477852
1-(4-but-2-ynoxy-3,5-difluorophenyl)butan-2-amine
CID 79887773
4-(2-aminobutyl)-N-butyl-N-cyclopropyl-2,6-difluoroaniline
CID 63817015

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-N-ethyl-2,6-difluoro-N-(2-methylbutyl)aniline?
The IUPAC name of 4-(2-aminobutyl)-N-ethyl-2,6-difluoro-N-(2-methylbutyl)aniline (CID 79479930) is 4-(2-aminobutyl)-N-ethyl-2,6-difluoro-N-(2-methylbutyl)aniline.
What is the SMILES notation for 4-(2-aminobutyl)-N-ethyl-2,6-difluoro-N-(2-methylbutyl)aniline?
The canonical SMILES for 4-(2-aminobutyl)-N-ethyl-2,6-difluoro-N-(2-methylbutyl)aniline is CCC(C)CN(CC)c1c(F)cc(CC(N)CC)cc1F.
What is the InChIKey of 4-(2-aminobutyl)-N-ethyl-2,6-difluoro-N-(2-methylbutyl)aniline?
The InChIKey is BKIDZNRPVFVNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F2N2/c1-5-12(4)11-21(7-3)17-15(18)9-13(10-16(17)19)8-14(20)6-2/h9-10,12,14H,5-8,11,20H2,1-4H3.
What are the key properties of 4-(2-aminobutyl)-N-ethyl-2,6-difluoro-N-(2-methylbutyl)aniline?
4-(2-aminobutyl)-N-ethyl-2,6-difluoro-N-(2-methylbutyl)aniline has a molecular weight of 298.42 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-N-ethyl-2,6-difluoro-N-(2-methylbutyl)aniline is sourced from PubChem (CID 79479930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).