3-[2-[(1R)-1-aminoethyl]-N-cyclobutyl-4-fluoro-5-methylanilino]propan-1-ol

C16H25FN2O — CID 102863419

IUPAC3-[2-[(1R)-1-aminoethyl]-N-cyclobutyl-4-fluoro-5-methylanilino]propan-1-ol
SMILESCc1cc(N(CCCO)C2CCC2)c([C@@H](C)N)cc1F
InChIInChI=1S/C16H25FN2O/c1-11-9-16(14(12(2)18)10-15(11)17)19(7-4-8-20)13-5-3-6-13/h9-10,12-13,20H,3-8,18H2,1-2H3/t12-/m1/s1
InChIKeyRQXWWGLZIWJIEQ-GFCCVEGCSA-N
MW280.39 g/mol
LogP2.90
Rot. Bonds6

About 3-[2-[(1R)-1-aminoethyl]-N-cyclobutyl-4-fluoro-5-methylanilino]propan-1-ol

3-[2-[(1R)-1-aminoethyl]-N-cyclobutyl-4-fluoro-5-methylanilino]propan-1-ol (PubChem CID 102863419) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-[2-[(1R)-1-aminoethyl]-N-cyclobutyl-4-fluoro-5-methylanilino]propan-1-ol.

Molecular Properties

Compound Name3-[2-[(1R)-1-aminoethyl]-N-cyclobutyl-4-fluoro-5-methylanilino]propan-1-ol
PubChem CID102863419
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name3-[2-[(1R)-1-aminoethyl]-N-cyclobutyl-4-fluoro-5-methylanilino]propan-1-ol
SMILESCc1cc(N(CCCO)C2CCC2)c([C@@H](C)N)cc1F
InChIInChI=1S/C16H25FN2O/c1-11-9-16(14(12(2)18)10-15(11)17)19(7-4-8-20)13-5-3-6-13/h9-10,12-13,20H,3-8,18H2,1-2H3/t12-/m1/s1
InChIKeyRQXWWGLZIWJIEQ-GFCCVEGCSA-N
XLogP2.90
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.90
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
2-[2-(1-aminoethyl)-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol
CID 102863487
2-[(1R)-1-aminoethyl]-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-5-methylaniline
CID 107399251
2-(2-amino-N-cyclopropyl-4-fluoro-5-methylanilino)ethanol
CID 103590173
3-(4-amino-N-cyclobutyl-2-fluoroanilino)propan-1-ol
CID 102859257
3-(5-amino-N-cyclobutyl-2-methylanilino)propan-1-ol
CID 102859372
2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol
CID 102863448
3-(2-amino-N-cyclobutyl-3-fluoroanilino)propan-1-ol
CID 102859346
2-[(1S)-1-aminoethyl]-4-fluoro-N,5-dimethyl-N-pent-4-enylaniline
CID 104869696
(1S)-1-[2-[cyclobutyl(methyl)amino]-5-fluoro-4-methylphenyl]ethanol
CID 104873578
3-[cyclobutyl(3-hydroxypropyl)amino]-4-[(1S)-1-hydroxyethyl]benzonitrile
CID 102864207
N-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-N-methyloxolan-3-amine
CID 82740352

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1R)-1-aminoethyl]-N-cyclobutyl-4-fluoro-5-methylanilino]propan-1-ol?
The IUPAC name of 3-[2-[(1R)-1-aminoethyl]-N-cyclobutyl-4-fluoro-5-methylanilino]propan-1-ol (CID 102863419) is 3-[2-[(1R)-1-aminoethyl]-N-cyclobutyl-4-fluoro-5-methylanilino]propan-1-ol.
What is the SMILES notation for 3-[2-[(1R)-1-aminoethyl]-N-cyclobutyl-4-fluoro-5-methylanilino]propan-1-ol?
The canonical SMILES for 3-[2-[(1R)-1-aminoethyl]-N-cyclobutyl-4-fluoro-5-methylanilino]propan-1-ol is Cc1cc(N(CCCO)C2CCC2)c([C@@H](C)N)cc1F.
What is the InChIKey of 3-[2-[(1R)-1-aminoethyl]-N-cyclobutyl-4-fluoro-5-methylanilino]propan-1-ol?
The InChIKey is RQXWWGLZIWJIEQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-11-9-16(14(12(2)18)10-15(11)17)19(7-4-8-20)13-5-3-6-13/h9-10,12-13,20H,3-8,18H2,1-2H3/t12-/m1/s1.
What are the key properties of 3-[2-[(1R)-1-aminoethyl]-N-cyclobutyl-4-fluoro-5-methylanilino]propan-1-ol?
3-[2-[(1R)-1-aminoethyl]-N-cyclobutyl-4-fluoro-5-methylanilino]propan-1-ol has a molecular weight of 280.39 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1R)-1-aminoethyl]-N-cyclobutyl-4-fluoro-5-methylanilino]propan-1-ol is sourced from PubChem (CID 102863419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).