2-[(1R)-1-aminoethyl]-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-5-methylaniline

C16H25FN2 — CID 107399251

IUPAC2-[(1R)-1-aminoethyl]-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-5-methylaniline
SMILESCCN(CC1CCC1)c1cc(C)c(F)cc1[C@@H](C)N
InChIInChI=1S/C16H25FN2/c1-4-19(10-13-6-5-7-13)16-8-11(2)15(17)9-14(16)12(3)18/h8-9,12-13H,4-7,10,18H2,1-3H3/t12-/m1/s1
InChIKeyYIVVWANILFFYLZ-GFCCVEGCSA-N
MW264.39 g/mol
LogP3.78
Rot. Bonds5

About 2-[(1R)-1-aminoethyl]-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-5-methylaniline

2-[(1R)-1-aminoethyl]-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-5-methylaniline (PubChem CID 107399251) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-5-methylaniline.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-5-methylaniline
PubChem CID107399251
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name2-[(1R)-1-aminoethyl]-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-5-methylaniline
SMILESCCN(CC1CCC1)c1cc(C)c(F)cc1[C@@H](C)N
InChIInChI=1S/C16H25FN2/c1-4-19(10-13-6-5-7-13)16-8-11(2)15(17)9-14(16)12(3)18/h8-9,12-13H,4-7,10,18H2,1-3H3/t12-/m1/s1
InChIKeyYIVVWANILFFYLZ-GFCCVEGCSA-N
XLogP3.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluoroaniline
CID 107399231
2-[2-[(1R)-1-aminoethyl]-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol
CID 102863551
2-[2-(1-aminoethyl)-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol
CID 102863487
3-[2-[(1R)-1-aminoethyl]-N-cyclobutyl-4-fluoro-5-methylanilino]propan-1-ol
CID 102863419
2-(1-aminoethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline
CID 82967886
2-(2-aminopropyl)-N-(cyclobutylmethyl)-N-ethyl-4-fluoroaniline
CID 107402451
N-(cyclobutylmethyl)-N-ethyl-2-fluoro-4-[(propan-2-ylamino)methyl]aniline
CID 107399971
1-N-(cyclobutylmethyl)-1-N-ethyl-2,6-difluorobenzene-1,4-diamine
CID 107397225
2-[(1S)-1-aminoethyl]-4-fluoro-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 103955086
4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylaniline
CID 107402420
(1R)-1-[2-[cyclobutylmethyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 107399695
N-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-N-methyloxolan-3-amine
CID 82740352

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-5-methylaniline?
The IUPAC name of 2-[(1R)-1-aminoethyl]-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-5-methylaniline (CID 107399251) is 2-[(1R)-1-aminoethyl]-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-5-methylaniline.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-5-methylaniline?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-5-methylaniline is CCN(CC1CCC1)c1cc(C)c(F)cc1[C@@H](C)N.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-5-methylaniline?
The InChIKey is YIVVWANILFFYLZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25FN2/c1-4-19(10-13-6-5-7-13)16-8-11(2)15(17)9-14(16)12(3)18/h8-9,12-13H,4-7,10,18H2,1-3H3/t12-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-5-methylaniline?
2-[(1R)-1-aminoethyl]-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-5-methylaniline has a molecular weight of 264.39 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoethyl]-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-5-methylaniline is sourced from PubChem (CID 107399251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).