2-(2-aminobutyl)-N-butan-2-yl-N-butyl-4-fluoroaniline

C18H31FN2 — CID 63816560

IUPAC2-(2-aminobutyl)-N-butan-2-yl-N-butyl-4-fluoroaniline
SMILESCCCCN(c1ccc(F)cc1CC(N)CC)C(C)CC
InChIInChI=1S/C18H31FN2/c1-5-8-11-21(14(4)6-2)18-10-9-16(19)12-15(18)13-17(20)7-3/h9-10,12,14,17H,5-8,11,13,20H2,1-4H3
InChIKeyKLUPOISCIIRWJK-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.51
Rot. Bonds9

About 2-(2-aminobutyl)-N-butan-2-yl-N-butyl-4-fluoroaniline

2-(2-aminobutyl)-N-butan-2-yl-N-butyl-4-fluoroaniline (PubChem CID 63816560) has the molecular formula C18H31FN2 and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-(2-aminobutyl)-N-butan-2-yl-N-butyl-4-fluoroaniline.

Molecular Properties

Compound Name2-(2-aminobutyl)-N-butan-2-yl-N-butyl-4-fluoroaniline
PubChem CID63816560
Molecular FormulaC18H31FN2
Molecular Weight294.46 g/mol
Exact Mass294.25
IUPAC Name2-(2-aminobutyl)-N-butan-2-yl-N-butyl-4-fluoroaniline
SMILESCCCCN(c1ccc(F)cc1CC(N)CC)C(C)CC
InChIInChI=1S/C18H31FN2/c1-5-8-11-21(14(4)6-2)18-10-9-16(19)12-15(18)13-17(20)7-3/h9-10,12,14,17H,5-8,11,13,20H2,1-4H3
InChIKeyKLUPOISCIIRWJK-UHFFFAOYSA-N
XLogP4.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-N-butyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 63551014
2-(2-aminobutyl)-4-fluoro-N-methyl-N-pentan-2-ylaniline
CID 55235831
2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-propylaniline
CID 63785632
2-(2-aminobutyl)-N-ethyl-4-fluoro-N-phenylaniline
CID 63787438
4-[(1R)-1-aminoethyl]-2-bromo-N-butan-2-yl-N-butylaniline
CID 78944493
4-(2-aminobutyl)-N-butan-2-yl-N-butylaniline
CID 63816392
1-(5-fluoro-2-heptoxyphenyl)butan-2-amine
CID 107701259
4-(2-aminopropyl)-N-butan-2-yl-N-butyl-2-chloroaniline
CID 81165870
1-N-butan-2-yl-1-N-ethyl-4-fluorobenzene-1,2-diamine
CID 43274256
2-[(1S)-1-aminoethyl]-N,N-dibutyl-4-fluoroaniline
CID 28983277
2-(2-aminobutyl)-N-butyl-N-ethylaniline
CID 63785761
2-bromo-1-N-butan-2-yl-1-N-butylbenzene-1,4-diamine
CID 63406245

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-N-butan-2-yl-N-butyl-4-fluoroaniline?
The IUPAC name of 2-(2-aminobutyl)-N-butan-2-yl-N-butyl-4-fluoroaniline (CID 63816560) is 2-(2-aminobutyl)-N-butan-2-yl-N-butyl-4-fluoroaniline.
What is the SMILES notation for 2-(2-aminobutyl)-N-butan-2-yl-N-butyl-4-fluoroaniline?
The canonical SMILES for 2-(2-aminobutyl)-N-butan-2-yl-N-butyl-4-fluoroaniline is CCCCN(c1ccc(F)cc1CC(N)CC)C(C)CC.
What is the InChIKey of 2-(2-aminobutyl)-N-butan-2-yl-N-butyl-4-fluoroaniline?
The InChIKey is KLUPOISCIIRWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN2/c1-5-8-11-21(14(4)6-2)18-10-9-16(19)12-15(18)13-17(20)7-3/h9-10,12,14,17H,5-8,11,13,20H2,1-4H3.
What are the key properties of 2-(2-aminobutyl)-N-butan-2-yl-N-butyl-4-fluoroaniline?
2-(2-aminobutyl)-N-butan-2-yl-N-butyl-4-fluoroaniline has a molecular weight of 294.46 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)-N-butan-2-yl-N-butyl-4-fluoroaniline is sourced from PubChem (CID 63816560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).