2-[2-(1-aminoethyl)-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol

C15H23FN2O — CID 102863487

IUPAC2-[2-(1-aminoethyl)-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol
SMILESCc1cc(N(CCO)C2CCC2)c(C(C)N)cc1F
InChIInChI=1S/C15H23FN2O/c1-10-8-15(13(11(2)17)9-14(10)16)18(6-7-19)12-4-3-5-12/h8-9,11-12,19H,3-7,17H2,1-2H3
InChIKeyFPNHUVYLHOZVKW-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.51
Rot. Bonds5

About 2-[2-(1-aminoethyl)-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol

2-[2-(1-aminoethyl)-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol (PubChem CID 102863487) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol
PubChem CID102863487
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-[2-(1-aminoethyl)-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol
SMILESCc1cc(N(CCO)C2CCC2)c(C(C)N)cc1F
InChIInChI=1S/C15H23FN2O/c1-10-8-15(13(11(2)17)9-14(10)16)18(6-7-19)12-4-3-5-12/h8-9,11-12,19H,3-7,17H2,1-2H3
InChIKeyFPNHUVYLHOZVKW-UHFFFAOYSA-N
XLogP2.51
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1R)-1-aminoethyl]-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol
CID 102863551
3-[2-[(1R)-1-aminoethyl]-N-cyclobutyl-4-fluoro-5-methylanilino]propan-1-ol
CID 102863419
2-(2-amino-N-cyclopropyl-4-fluoro-5-methylanilino)ethanol
CID 103590173
2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol
CID 102863448
2-[(1R)-1-aminoethyl]-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-5-methylaniline
CID 107399251
2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 78935565
2-[2-[(1S)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 63368640
(1R)-1-[4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol
CID 78940583
(1S)-1-[2-[cyclobutyl(methyl)amino]-5-fluoro-4-methylphenyl]ethanol
CID 104873578
2-(2-amino-N-cyclobutyl-3,5-difluoroanilino)ethanol
CID 102859499
(1R)-1-[2-[cyclopentyl(2-hydroxyethyl)amino]-5-fluorophenyl]ethanol
CID 63372730
2-(1-aminoethyl)-5-[cyclobutyl(2-hydroxyethyl)amino]phenol
CID 102863464

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol?
The IUPAC name of 2-[2-(1-aminoethyl)-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol (CID 102863487) is 2-[2-(1-aminoethyl)-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol.
What is the SMILES notation for 2-[2-(1-aminoethyl)-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol?
The canonical SMILES for 2-[2-(1-aminoethyl)-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol is Cc1cc(N(CCO)C2CCC2)c(C(C)N)cc1F.
What is the InChIKey of 2-[2-(1-aminoethyl)-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol?
The InChIKey is FPNHUVYLHOZVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-10-8-15(13(11(2)17)9-14(10)16)18(6-7-19)12-4-3-5-12/h8-9,11-12,19H,3-7,17H2,1-2H3.
What are the key properties of 2-[2-(1-aminoethyl)-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol?
2-[2-(1-aminoethyl)-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol has a molecular weight of 266.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol is sourced from PubChem (CID 102863487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).