2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-cyclobutylamino]ethanol

C16H25FN2O — CID 102871056

IUPAC2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-cyclobutylamino]ethanol
SMILESCc1ccc(C(N)CCN(CCO)C2CCC2)cc1F
InChIInChI=1S/C16H25FN2O/c1-12-5-6-13(11-15(12)17)16(18)7-8-19(9-10-20)14-3-2-4-14/h5-6,11,14,16,20H,2-4,7-10,18H2,1H3
InChIKeyPSXRZRWYFJTRRO-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.37
Rot. Bonds7

About 2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-cyclobutylamino]ethanol

2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-cyclobutylamino]ethanol (PubChem CID 102871056) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-cyclobutylamino]ethanol
PubChem CID102871056
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-cyclobutylamino]ethanol
SMILESCc1ccc(C(N)CCN(CCO)C2CCC2)cc1F
InChIInChI=1S/C16H25FN2O/c1-12-5-6-13(11-15(12)17)16(18)7-8-19(9-10-20)14-3-2-4-14/h5-6,11,14,16,20H,2-4,7-10,18H2,1H3
InChIKeyPSXRZRWYFJTRRO-UHFFFAOYSA-N
XLogP2.37
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-cyclobutylamino]ethanol
CID 102870932
2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-methylamino]propan-1-ol
CID 113426383
2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 65459488
3-[[3-amino-3-(2-fluorophenyl)propyl]-cyclobutylamino]propan-1-ol
CID 102870739
(1S)-1-(3-fluoro-4-methylphenyl)pentane-1,5-diamine
CID 171223924
3-[cyclobutyl(2-hydroxyethyl)amino]-1-(3,5-difluorophenyl)propan-1-ol
CID 102871167
1-(4-chlorophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol
CID 62629823
2-[cyclobutyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol
CID 102870901
1-(3-fluoro-4-methylphenyl)-3-propan-2-yloxypropan-1-amine
CID 115002277
4-ethoxy-1-(3-fluoro-4-methylphenyl)butan-1-amine
CID 107130391
N'-cyclopentyl-1-(3,4-difluorophenyl)-N'-ethylethane-1,2-diamine
CID 107519650
(1R)-1-(3-fluoro-4-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171204371

Frequently Asked Questions

What is the IUPAC name of 2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-cyclobutylamino]ethanol?
The IUPAC name of 2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-cyclobutylamino]ethanol (CID 102871056) is 2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-cyclobutylamino]ethanol?
The canonical SMILES for 2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-cyclobutylamino]ethanol is Cc1ccc(C(N)CCN(CCO)C2CCC2)cc1F.
What is the InChIKey of 2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-cyclobutylamino]ethanol?
The InChIKey is PSXRZRWYFJTRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-12-5-6-13(11-15(12)17)16(18)7-8-19(9-10-20)14-3-2-4-14/h5-6,11,14,16,20H,2-4,7-10,18H2,1H3.
What are the key properties of 2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-cyclobutylamino]ethanol?
2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-cyclobutylamino]ethanol has a molecular weight of 280.39 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-cyclobutylamino]ethanol is sourced from PubChem (CID 102871056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).