1-(2-fluoro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol

C14H22FNO2 — CID 107657511

IUPAC1-(2-fluoro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
SMILESCc1cccc(OCC(O)CNCC(C)C)c1F
InChIInChI=1S/C14H22FNO2/c1-10(2)7-16-8-12(17)9-18-13-6-4-5-11(3)14(13)15/h4-6,10,12,16-17H,7-9H2,1-3H3
InChIKeyBBCGZXDSGPNDLT-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.12
Rot. Bonds7

About 1-(2-fluoro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol

1-(2-fluoro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol (PubChem CID 107657511) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
PubChem CID107657511
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name1-(2-fluoro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
SMILESCc1cccc(OCC(O)CNCC(C)C)c1F
InChIInChI=1S/C14H22FNO2/c1-10(2)7-16-8-12(17)9-18-13-6-4-5-11(3)14(13)15/h4-6,10,12,16-17H,7-9H2,1-3H3
InChIKeyBBCGZXDSGPNDLT-UHFFFAOYSA-N
XLogP2.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635222
(2S)-1-[[(2S)-2-hydroxypropyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7830763
1-(2-methylpropylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 71651455
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
1-(2,3-difluorophenoxy)-3-(ethylamino)propan-2-ol
CID 63038505
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605
1-(2-fluoro-3-methylphenoxy)-3-methylpentan-2-ol
CID 107660344
1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 60632137
1-(4-methylpentylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60745192
1-(2,3-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 64569714
1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene
CID 104853711
1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 559347

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol?
The IUPAC name of 1-(2-fluoro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol (CID 107657511) is 1-(2-fluoro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for 1-(2-fluoro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for 1-(2-fluoro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol is Cc1cccc(OCC(O)CNCC(C)C)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol?
The InChIKey is BBCGZXDSGPNDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-10(2)7-16-8-12(17)9-18-13-6-4-5-11(3)14(13)15/h4-6,10,12,16-17H,7-9H2,1-3H3.
What are the key properties of 1-(2-fluoro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol?
1-(2-fluoro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol has a molecular weight of 255.33 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 107657511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).