1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol

C16H26FNO2 — CID 107696197

IUPAC1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol
SMILESCC(C)NCc1cc(F)ccc1OCC(C)(O)C(C)C
InChIInChI=1S/C16H26FNO2/c1-11(2)16(5,19)10-20-15-7-6-14(17)8-13(15)9-18-12(3)4/h6-8,11-12,18-19H,9-10H2,1-5H3
InChIKeyAUKPOZPXPBPNAT-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.11
Rot. Bonds7

About 1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol

1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol (PubChem CID 107696197) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol
PubChem CID107696197
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC Name1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol
SMILESCC(C)NCc1cc(F)ccc1OCC(C)(O)C(C)C
InChIInChI=1S/C16H26FNO2/c1-11(2)16(5,19)10-20-15-7-6-14(17)8-13(15)9-18-12(3)4/h6-8,11-12,18-19H,9-10H2,1-5H3
InChIKeyAUKPOZPXPBPNAT-UHFFFAOYSA-N
XLogP3.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol
CID 107696082
methyl 4-[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]butanoate
CID 107696219
1-[4-chloro-2-(ethylaminomethyl)phenoxy]-2,3-dimethylbutan-2-ol
CID 114491618
N-[[2-(3,5-dichlorophenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43622055
N-[[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43314137
N-[[2-[(2-bromophenyl)methoxy]-5-fluorophenyl]methyl]propan-2-amine
CID 107696130
N-[[5-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 107696192
1-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-2,3-dimethylbutan-2-ol
CID 114491542
N-[[2-(2-bromo-4-methylphenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43314300
N-[[5-fluoro-2-(3-methoxyphenoxy)phenyl]methyl]propan-2-amine
CID 43314159
N-[[5-(4-fluorophenyl)-2-methoxyphenyl]methyl]propan-2-amine
CID 61025376
1-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 107697135

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol (CID 107696197) is 1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol is CC(C)NCc1cc(F)ccc1OCC(C)(O)C(C)C.
What is the InChIKey of 1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol?
The InChIKey is AUKPOZPXPBPNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-11(2)16(5,19)10-20-15-7-6-14(17)8-13(15)9-18-12(3)4/h6-8,11-12,18-19H,9-10H2,1-5H3.
What are the key properties of 1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol?
1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol has a molecular weight of 283.39 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 107696197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).