1-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-methylbutan-2-ol

C14H22FNO — CID 113261628

IUPAC1-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-methylbutan-2-ol
SMILESCc1ccc(C(C)NCC(O)C(C)C)cc1F
InChIInChI=1S/C14H22FNO/c1-9(2)14(17)8-16-11(4)12-6-5-10(3)13(15)7-12/h5-7,9,11,14,16-17H,8H2,1-4H3
InChIKeyXPVFZVUTFDNYMN-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.80
Rot. Bonds5

About 1-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-methylbutan-2-ol

1-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-methylbutan-2-ol (PubChem CID 113261628) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-methylbutan-2-ol
PubChem CID113261628
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-methylbutan-2-ol
SMILESCc1ccc(C(C)NCC(O)C(C)C)cc1F
InChIInChI=1S/C14H22FNO/c1-9(2)14(17)8-16-11(4)12-6-5-10(3)13(15)7-12/h5-7,9,11,14,16-17H,8H2,1-4H3
InChIKeyXPVFZVUTFDNYMN-UHFFFAOYSA-N
XLogP2.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-[1-(3-fluoro-4-methylphenyl)ethylamino]pentan-2-ol
CID 103783024
(2R)-1-[[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]amino]butan-2-ol
CID 97051735
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
1-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 103716969
N-[1-(3-fluoro-4-methylphenyl)ethyl]-2,3-dimethoxypropan-1-amine
CID 113368956
1-(3-fluoro-4-methylphenyl)butane-1,2-diol
CID 107128649
1-(3-fluoro-4-methylphenyl)-2,3-dimethylbutan-1-ol
CID 107130631
3-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol
CID 115720493
(2S)-1-[1-(3-fluoro-4-methylsulfanylphenyl)ethylamino]propan-2-ol
CID 103906460
(2R)-1-[1-(3-fluoro-4-methylsulfanylphenyl)ethylamino]propan-2-ol
CID 103906795
3-methyl-1-[1-(4-phenylphenyl)ethylamino]butan-2-ol
CID 115720487
N-[1-(3-fluoro-4-methylphenyl)ethyl]-3-methylsulfinylbutan-1-amine
CID 113348963

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-methylbutan-2-ol?
The IUPAC name of 1-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-methylbutan-2-ol (CID 113261628) is 1-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-methylbutan-2-ol?
The canonical SMILES for 1-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-methylbutan-2-ol is Cc1ccc(C(C)NCC(O)C(C)C)cc1F.
What is the InChIKey of 1-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-methylbutan-2-ol?
The InChIKey is XPVFZVUTFDNYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-9(2)14(17)8-16-11(4)12-6-5-10(3)13(15)7-12/h5-7,9,11,14,16-17H,8H2,1-4H3.
What are the key properties of 1-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-methylbutan-2-ol?
1-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-methylbutan-2-ol has a molecular weight of 239.33 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-methylbutan-2-ol is sourced from PubChem (CID 113261628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).