2-(1-aminoethyl)-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline

C14H23FN2 — CID 43570188

IUPAC2-(1-aminoethyl)-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline
SMILESCC(N)c1cc(F)ccc1N(C)C(C)C(C)C
InChIInChI=1S/C14H23FN2/c1-9(2)11(4)17(5)14-7-6-12(15)8-13(14)10(3)16/h6-11H,16H2,1-5H3
InChIKeyKEALPBMCNBWMOL-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.33
Rot. Bonds4

About 2-(1-aminoethyl)-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline

2-(1-aminoethyl)-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline (PubChem CID 43570188) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-(1-aminoethyl)-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline
PubChem CID43570188
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name2-(1-aminoethyl)-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline
SMILESCC(N)c1cc(F)ccc1N(C)C(C)C(C)C
InChIInChI=1S/C14H23FN2/c1-9(2)11(4)17(5)14-7-6-12(15)8-13(14)10(3)16/h6-11H,16H2,1-5H3
InChIKeyKEALPBMCNBWMOL-UHFFFAOYSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-aminoethyl)-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline 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

2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline
CID 43188896
2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 103955080
2-(1-aminoethyl)-N-[1-(4-chlorophenyl)ethyl]-4-fluoro-N-methylaniline
CID 62978142
2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 43570195
2-[(1R)-1-aminoethyl]-4-fluoro-N-(4-fluorophenyl)-N-methylaniline
CID 78935127
3-[2-[(1R)-1-aminoethyl]-4-fluoro-N-methylanilino]butanenitrile
CID 63369266
4-fluoro-2-N-methyl-2-N-(3-methylbutan-2-yl)benzene-1,2-diamine
CID 62378498
2-(1-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 112660564
2-(1-aminoethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 61412975
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

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline?
The IUPAC name of 2-(1-aminoethyl)-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline (CID 43570188) is 2-(1-aminoethyl)-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline.
What is the SMILES notation for 2-(1-aminoethyl)-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline?
The canonical SMILES for 2-(1-aminoethyl)-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline is CC(N)c1cc(F)ccc1N(C)C(C)C(C)C.
What is the InChIKey of 2-(1-aminoethyl)-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline?
The InChIKey is KEALPBMCNBWMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-9(2)11(4)17(5)14-7-6-12(15)8-13(14)10(3)16/h6-11H,16H2,1-5H3.
What are the key properties of 2-(1-aminoethyl)-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline?
2-(1-aminoethyl)-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline has a molecular weight of 238.35 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline is sourced from PubChem (CID 43570188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).