2-[[1-(4-fluoro-3-methylphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol

C14H22FNO2 — CID 82315070

IUPAC2-[[1-(4-fluoro-3-methylphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol
SMILESCc1cc(C(O)C(C)NC(C)(C)CO)ccc1F
InChIInChI=1S/C14H22FNO2/c1-9-7-11(5-6-12(9)15)13(18)10(2)16-14(3,4)8-17/h5-7,10,13,16-18H,8H2,1-4H3
InChIKeyXPFUJLLWFKGZPK-UHFFFAOYSA-N
MW255.33 g/mol
LogP1.92
Rot. Bonds5

About 2-[[1-(4-fluoro-3-methylphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol

2-[[1-(4-fluoro-3-methylphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol (PubChem CID 82315070) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 2-[[1-(4-fluoro-3-methylphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[1-(4-fluoro-3-methylphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol
PubChem CID82315070
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name2-[[1-(4-fluoro-3-methylphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol
SMILESCc1cc(C(O)C(C)NC(C)(C)CO)ccc1F
InChIInChI=1S/C14H22FNO2/c1-9-7-11(5-6-12(9)15)13(18)10(2)16-14(3,4)8-17/h5-7,10,13,16-18H,8H2,1-4H3
InChIKeyXPFUJLLWFKGZPK-UHFFFAOYSA-N
XLogP1.92
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(3-chlorophenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol;hydrochloride
CID 3027654
1-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)propan-1-ol
CID 82315033
1-(4-fluoro-3-methylphenyl)-2-(hexylamino)propan-1-ol
CID 82315039
2-(aminomethyl)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 65185897
(3R)-3-amino-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-ol
CID 131494275
2-(cyclohexylamino)-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 82315043
3-bromo-1-(4-fluoro-3-methylphenyl)propane-1,2-diol
CID 171859509
2-(butan-2-ylamino)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 82315113
(4-fluoro-3-methylphenyl)methanediol
CID 45090626
2-(ethylamino)-1-(4-fluoro-3-methylphenyl)butan-1-ol
CID 82315086
1-(4-fluoro-3-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 62394130
1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 60929106

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluoro-3-methylphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[1-(4-fluoro-3-methylphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol (CID 82315070) is 2-[[1-(4-fluoro-3-methylphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[1-(4-fluoro-3-methylphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[1-(4-fluoro-3-methylphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol is Cc1cc(C(O)C(C)NC(C)(C)CO)ccc1F.
What is the InChIKey of 2-[[1-(4-fluoro-3-methylphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol?
The InChIKey is XPFUJLLWFKGZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-9-7-11(5-6-12(9)15)13(18)10(2)16-14(3,4)8-17/h5-7,10,13,16-18H,8H2,1-4H3.
What are the key properties of 2-[[1-(4-fluoro-3-methylphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol?
2-[[1-(4-fluoro-3-methylphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol has a molecular weight of 255.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluoro-3-methylphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 82315070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).