4-(2-aminopropyl)-N,N-dibutyl-2,6-difluoroaniline

C17H28F2N2 — CID 63787284

IUPAC4-(2-aminopropyl)-N,N-dibutyl-2,6-difluoroaniline
SMILESCCCCN(CCCC)c1c(F)cc(CC(C)N)cc1F
InChIInChI=1S/C17H28F2N2/c1-4-6-8-21(9-7-5-2)17-15(18)11-14(10-13(3)20)12-16(17)19/h11-13H,4-10,20H2,1-3H3
InChIKeyLOSZCYXPAZSJKW-UHFFFAOYSA-N
MW298.42 g/mol
LogP4.26
Rot. Bonds9

About 4-(2-aminopropyl)-N,N-dibutyl-2,6-difluoroaniline

4-(2-aminopropyl)-N,N-dibutyl-2,6-difluoroaniline (PubChem CID 63787284) has the molecular formula C17H28F2N2 and a molecular weight of 298.42 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N,N-dibutyl-2,6-difluoroaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N,N-dibutyl-2,6-difluoroaniline
PubChem CID63787284
Molecular FormulaC17H28F2N2
Molecular Weight298.42 g/mol
Exact Mass298.22
IUPAC Name4-(2-aminopropyl)-N,N-dibutyl-2,6-difluoroaniline
SMILESCCCCN(CCCC)c1c(F)cc(CC(C)N)cc1F
InChIInChI=1S/C17H28F2N2/c1-4-6-8-21(9-7-5-2)17-15(18)11-14(10-13(3)20)12-16(17)19/h11-13H,4-10,20H2,1-3H3
InChIKeyLOSZCYXPAZSJKW-UHFFFAOYSA-N
XLogP4.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(2,2,2-trifluoroethyl)aniline
CID 63795420
4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline
CID 63795204
4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-ethyl-2,6-difluoroaniline
CID 63938764
4-(2-aminopropyl)-N-butyl-N-ethylaniline
CID 63786093
4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(thiophen-2-ylmethyl)aniline
CID 63815129
4-(dibutylamino)-3,5-difluorobenzonitrile
CID 81282963
1-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride
CID 170894171
4-(2-aminobutyl)-N-butyl-N-cyclopropyl-2,6-difluoroaniline
CID 63817015
1-(3-fluoro-4-nonoxyphenyl)propan-2-amine
CID 107693028
1-(3-fluoro-4-hexoxyphenyl)propan-2-amine
CID 107693191
N-[4-(2-aminopropyl)-2,6-difluorophenyl]-N-methylcycloheptanamine
CID 63785833
4-(2-aminobutyl)-2,6-difluoro-N-methyl-N-propan-2-ylaniline
CID 63787264

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N,N-dibutyl-2,6-difluoroaniline?
The IUPAC name of 4-(2-aminopropyl)-N,N-dibutyl-2,6-difluoroaniline (CID 63787284) is 4-(2-aminopropyl)-N,N-dibutyl-2,6-difluoroaniline.
What is the SMILES notation for 4-(2-aminopropyl)-N,N-dibutyl-2,6-difluoroaniline?
The canonical SMILES for 4-(2-aminopropyl)-N,N-dibutyl-2,6-difluoroaniline is CCCCN(CCCC)c1c(F)cc(CC(C)N)cc1F.
What is the InChIKey of 4-(2-aminopropyl)-N,N-dibutyl-2,6-difluoroaniline?
The InChIKey is LOSZCYXPAZSJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F2N2/c1-4-6-8-21(9-7-5-2)17-15(18)11-14(10-13(3)20)12-16(17)19/h11-13H,4-10,20H2,1-3H3.
What are the key properties of 4-(2-aminopropyl)-N,N-dibutyl-2,6-difluoroaniline?
4-(2-aminopropyl)-N,N-dibutyl-2,6-difluoroaniline has a molecular weight of 298.42 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N,N-dibutyl-2,6-difluoroaniline is sourced from PubChem (CID 63787284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).