2-(2-aminoethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline

C14H23FN2 — CID 63783578

IUPAC2-(2-aminoethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(C)c1ccc(F)cc1CCN
InChIInChI=1S/C14H23FN2/c1-4-11(2)10-17(3)14-6-5-13(15)9-12(14)7-8-16/h5-6,9,11H,4,7-8,10,16H2,1-3H3
InChIKeyVTYWBPIRJKABQR-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.81
Rot. Bonds6

About 2-(2-aminoethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline

2-(2-aminoethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline (PubChem CID 63783578) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline
PubChem CID63783578
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name2-(2-aminoethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(C)c1ccc(F)cc1CCN
InChIInChI=1S/C14H23FN2/c1-4-11(2)10-17(3)14-6-5-13(15)9-12(14)7-8-16/h5-6,9,11H,4,7-8,10,16H2,1-3H3
InChIKeyVTYWBPIRJKABQR-UHFFFAOYSA-N
XLogP2.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline
CID 43314003
2-(2-aminoethyl)-4-fluoro-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 79489813
2-(2-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 112666798
2-[[5-fluoro-2-[methyl(2-methylbutyl)amino]phenyl]methylamino]propanoic acid
CID 120913271
2-(2-aminoethyl)-4-chloro-N-methyl-N-(2-methylpropyl)aniline
CID 114860497
2-(aminomethyl)-N,4-dimethyl-N-(2-methylbutyl)aniline
CID 107926001
3-[[5-fluoro-2-[methyl(2-methylbutyl)amino]phenyl]methylamino]propanoic acid
CID 120913149
2-(2-aminoethyl)-N-ethyl-4-fluoro-N-propylaniline
CID 63783053
2-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylbutyl)aniline
CID 61429251
2-(2-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-N-methylaniline
CID 63787358
2-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)aniline
CID 79515809
3-fluoro-4-[methyl(2-methylbutyl)amino]benzenecarbothioamide
CID 43657911

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline?
The IUPAC name of 2-(2-aminoethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline (CID 63783578) is 2-(2-aminoethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline.
What is the SMILES notation for 2-(2-aminoethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline?
The canonical SMILES for 2-(2-aminoethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline is CCC(C)CN(C)c1ccc(F)cc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline?
The InChIKey is VTYWBPIRJKABQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-4-11(2)10-17(3)14-6-5-13(15)9-12(14)7-8-16/h5-6,9,11H,4,7-8,10,16H2,1-3H3.
What are the key properties of 2-(2-aminoethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline?
2-(2-aminoethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline has a molecular weight of 238.35 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline is sourced from PubChem (CID 63783578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).