1-(ethylamino)-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol

C13H20FNO — CID 105375921

IUPAC1-(ethylamino)-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
SMILESCCNCC(C)(O)Cc1cc(F)ccc1C
InChIInChI=1S/C13H20FNO/c1-4-15-9-13(3,16)8-11-7-12(14)6-5-10(11)2/h5-7,15-16H,4,8-9H2,1-3H3
InChIKeyHISMJDBKOUNRKJ-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.04
Rot. Bonds5

About 1-(ethylamino)-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol

1-(ethylamino)-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol (PubChem CID 105375921) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(ethylamino)-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
PubChem CID105375921
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-(ethylamino)-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
SMILESCCNCC(C)(O)Cc1cc(F)ccc1C
InChIInChI=1S/C13H20FNO/c1-4-15-9-13(3,16)8-11-7-12(14)6-5-10(11)2/h5-7,15-16H,4,8-9H2,1-3H3
InChIKeyHISMJDBKOUNRKJ-UHFFFAOYSA-N
XLogP2.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methylphenyl)-2-methyl-3-(propylamino)propan-2-ol
CID 105375922
1-amino-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 105372977
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
3-[(5-fluoro-2-methylphenyl)methylamino]-2-methylpropane-1,2-diol
CID 105371162
1-(ethylamino)-3-(4-fluorophenyl)-2-methylpropan-2-ol
CID 66038175
3-(5-fluoro-2-methylphenyl)-2-hydroxy-2-methylpropanal
CID 105372913
N,2-diethyl-2-[(5-fluoro-2-methylphenyl)methyl]hexan-1-amine
CID 105374931
1-(4-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 66040311
1-(5-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 66036998
2-[(5-fluoro-2-methylphenyl)methyl]-2-methylbutanoic acid
CID 105372510
2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpropane-1,3-diol
CID 105376091
1-(5-fluoro-2-methylphenyl)-N,2-dimethylpropan-2-amine
CID 83698852

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(ethylamino)-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol (CID 105375921) is 1-(ethylamino)-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(ethylamino)-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(ethylamino)-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol is CCNCC(C)(O)Cc1cc(F)ccc1C.
What is the InChIKey of 1-(ethylamino)-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol?
The InChIKey is HISMJDBKOUNRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-4-15-9-13(3,16)8-11-7-12(14)6-5-10(11)2/h5-7,15-16H,4,8-9H2,1-3H3.
What are the key properties of 1-(ethylamino)-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol?
1-(ethylamino)-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol has a molecular weight of 225.31 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 105375921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).