2-[(1S)-1-aminoethyl]-N,N-dibutyl-4-fluoroaniline

C16H27FN2 — CID 28983277

IUPAC2-[(1S)-1-aminoethyl]-N,N-dibutyl-4-fluoroaniline
SMILESCCCCN(CCCC)c1ccc(F)cc1[C@H](C)N
InChIInChI=1S/C16H27FN2/c1-4-6-10-19(11-7-5-2)16-9-8-14(17)12-15(16)13(3)18/h8-9,12-13H,4-7,10-11,18H2,1-3H3/t13-/m0/s1
InChIKeyDQMYXBUGHMNQJI-ZDUSSCGKSA-N
MW266.40 g/mol
LogP4.25
Rot. Bonds8

About 2-[(1S)-1-aminoethyl]-N,N-dibutyl-4-fluoroaniline

2-[(1S)-1-aminoethyl]-N,N-dibutyl-4-fluoroaniline (PubChem CID 28983277) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 2-[(1S)-1-aminoethyl]-N,N-dibutyl-4-fluoroaniline.

Molecular Properties

Compound Name2-[(1S)-1-aminoethyl]-N,N-dibutyl-4-fluoroaniline
PubChem CID28983277
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name2-[(1S)-1-aminoethyl]-N,N-dibutyl-4-fluoroaniline
SMILESCCCCN(CCCC)c1ccc(F)cc1[C@H](C)N
InChIInChI=1S/C16H27FN2/c1-4-6-10-19(11-7-5-2)16-9-8-14(17)12-15(16)13(3)18/h8-9,12-13H,4-7,10-11,18H2,1-3H3/t13-/m0/s1
InChIKeyDQMYXBUGHMNQJI-ZDUSSCGKSA-N
XLogP4.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(1S)-1-aminoethyl]-N,N-dibutyl-4-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 63368901
2-[(1S)-1-aminoethyl]-4-fluoro-N,N-bis(3-methylbutyl)aniline
CID 107870073
2-[(1R)-1-aminoethyl]-4-fluoro-N,N-bis(3-methylbutyl)aniline
CID 107870060
2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-pentylaniline
CID 63368290
2-[(1R)-1-aminoethyl]-N-ethyl-4-fluoro-N-(2-methoxyethyl)aniline
CID 78934827
2-[(1R)-1-aminoethyl]-N-ethyl-N-(2-ethylbutyl)-4-fluoroaniline
CID 63368605
2-(1-aminoethyl)-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 55010761
2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline
CID 43188896
2-[(1R)-1-aminoethyl]-N-cyclopropyl-4-fluoro-N-propylaniline
CID 55190464
(1R)-1-[5-fluoro-2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
CID 63371229
3-[2-[(1R)-1-aminoethyl]-4-fluoro-N-propan-2-ylanilino]propan-1-ol
CID 63368684
2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 103955080

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminoethyl]-N,N-dibutyl-4-fluoroaniline?
The IUPAC name of 2-[(1S)-1-aminoethyl]-N,N-dibutyl-4-fluoroaniline (CID 28983277) is 2-[(1S)-1-aminoethyl]-N,N-dibutyl-4-fluoroaniline.
What is the SMILES notation for 2-[(1S)-1-aminoethyl]-N,N-dibutyl-4-fluoroaniline?
The canonical SMILES for 2-[(1S)-1-aminoethyl]-N,N-dibutyl-4-fluoroaniline is CCCCN(CCCC)c1ccc(F)cc1[C@H](C)N.
What is the InChIKey of 2-[(1S)-1-aminoethyl]-N,N-dibutyl-4-fluoroaniline?
The InChIKey is DQMYXBUGHMNQJI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H27FN2/c1-4-6-10-19(11-7-5-2)16-9-8-14(17)12-15(16)13(3)18/h8-9,12-13H,4-7,10-11,18H2,1-3H3/t13-/m0/s1.
What are the key properties of 2-[(1S)-1-aminoethyl]-N,N-dibutyl-4-fluoroaniline?
2-[(1S)-1-aminoethyl]-N,N-dibutyl-4-fluoroaniline has a molecular weight of 266.40 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminoethyl]-N,N-dibutyl-4-fluoroaniline is sourced from PubChem (CID 28983277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).