2-(2-aminobutyl)-4-fluoro-N-methyl-N-pentan-2-ylaniline

C16H27FN2 — CID 55235831

IUPAC2-(2-aminobutyl)-4-fluoro-N-methyl-N-pentan-2-ylaniline
SMILESCCCC(C)N(C)c1ccc(F)cc1CC(N)CC
InChIInChI=1S/C16H27FN2/c1-5-7-12(3)19(4)16-9-8-14(17)10-13(16)11-15(18)6-2/h8-10,12,15H,5-7,11,18H2,1-4H3
InChIKeyZFQSYUCWLWDSCX-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.73
Rot. Bonds7

About 2-(2-aminobutyl)-4-fluoro-N-methyl-N-pentan-2-ylaniline

2-(2-aminobutyl)-4-fluoro-N-methyl-N-pentan-2-ylaniline (PubChem CID 55235831) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 2-(2-aminobutyl)-4-fluoro-N-methyl-N-pentan-2-ylaniline.

Molecular Properties

Compound Name2-(2-aminobutyl)-4-fluoro-N-methyl-N-pentan-2-ylaniline
PubChem CID55235831
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name2-(2-aminobutyl)-4-fluoro-N-methyl-N-pentan-2-ylaniline
SMILESCCCC(C)N(C)c1ccc(F)cc1CC(N)CC
InChIInChI=1S/C16H27FN2/c1-5-7-12(3)19(4)16-9-8-14(17)10-13(16)11-15(18)6-2/h8-10,12,15H,5-7,11,18H2,1-4H3
InChIKeyZFQSYUCWLWDSCX-UHFFFAOYSA-N
XLogP3.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminobutyl)-N-butan-2-yl-N-butyl-4-fluoroaniline
CID 63816560
2-(2-aminobutyl)-N-ethyl-4-fluoro-N-phenylaniline
CID 63787438
2-(bromomethyl)-N-butan-2-yl-4-fluoro-N-methylaniline
CID 107080047
1-(2-bromo-5-fluorophenyl)pentan-2-amine
CID 62601078
2-(2-aminobutyl)-4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 63840153
2-(2-aminobutyl)-4-chloro-N-methyl-N-pentan-3-ylaniline
CID 114860632
2-(2-aminopropyl)-4-fluoro-N-propan-2-yl-N-propylaniline
CID 63785632
2-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]propan-1-ol
CID 113426132
1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525
2-(bromomethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 107085011
2-(2-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 112666798
1-(5-fluoro-2-heptoxyphenyl)butan-2-amine
CID 107701259

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-4-fluoro-N-methyl-N-pentan-2-ylaniline?
The IUPAC name of 2-(2-aminobutyl)-4-fluoro-N-methyl-N-pentan-2-ylaniline (CID 55235831) is 2-(2-aminobutyl)-4-fluoro-N-methyl-N-pentan-2-ylaniline.
What is the SMILES notation for 2-(2-aminobutyl)-4-fluoro-N-methyl-N-pentan-2-ylaniline?
The canonical SMILES for 2-(2-aminobutyl)-4-fluoro-N-methyl-N-pentan-2-ylaniline is CCCC(C)N(C)c1ccc(F)cc1CC(N)CC.
What is the InChIKey of 2-(2-aminobutyl)-4-fluoro-N-methyl-N-pentan-2-ylaniline?
The InChIKey is ZFQSYUCWLWDSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-5-7-12(3)19(4)16-9-8-14(17)10-13(16)11-15(18)6-2/h8-10,12,15H,5-7,11,18H2,1-4H3.
What are the key properties of 2-(2-aminobutyl)-4-fluoro-N-methyl-N-pentan-2-ylaniline?
2-(2-aminobutyl)-4-fluoro-N-methyl-N-pentan-2-ylaniline has a molecular weight of 266.40 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)-4-fluoro-N-methyl-N-pentan-2-ylaniline is sourced from PubChem (CID 55235831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).