2-amino-4-(3-fluorophenoxy)-2-methylbutan-1-ol

C11H16FNO2 — CID 64804560

IUPAC2-amino-4-(3-fluorophenoxy)-2-methylbutan-1-ol
SMILESCC(N)(CO)CCOc1cccc(F)c1
InChIInChI=1S/C11H16FNO2/c1-11(13,8-14)5-6-15-10-4-2-3-9(12)7-10/h2-4,7,14H,5-6,8,13H2,1H3
InChIKeyWECCLWWVNKLVPL-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.30
Rot. Bonds5

About 2-amino-4-(3-fluorophenoxy)-2-methylbutan-1-ol

2-amino-4-(3-fluorophenoxy)-2-methylbutan-1-ol (PubChem CID 64804560) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 2-amino-4-(3-fluorophenoxy)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-(3-fluorophenoxy)-2-methylbutan-1-ol
PubChem CID64804560
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name2-amino-4-(3-fluorophenoxy)-2-methylbutan-1-ol
SMILESCC(N)(CO)CCOc1cccc(F)c1
InChIInChI=1S/C11H16FNO2/c1-11(13,8-14)5-6-15-10-4-2-3-9(12)7-10/h2-4,7,14H,5-6,8,13H2,1H3
InChIKeyWECCLWWVNKLVPL-UHFFFAOYSA-N
XLogP1.30
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-dimethylbutoxy)-3-fluorobenzene
CID 59667496
2-amino-6-(3-tert-butylphenoxy)-2-methylhexan-1-ol
CID 64807091
2-(3-fluorophenoxy)-2-methylpropan-1-ol
CID 82075160
2-amino-2-methyl-6-phenoxyhexan-1-ol
CID 64803768
2-amino-2-methyl-5-(3-propan-2-ylphenoxy)pentan-1-ol
CID 64802030
2-amino-6-(3-ethylphenoxy)-2-methylhexan-1-ol
CID 64802185
2-amino-4-(4-tert-butylphenoxy)-2-methylbutan-1-ol
CID 64802066
5-(3-fluorophenoxy)-2,2-dimethylpentanoic acid
CID 65255314
2-amino-4-(3-fluorophenoxy)-2-phenylbutanamide
CID 116694302
6-(3-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64804186
2-(3-fluorophenoxy)ethanethiol
CID 79002331
3-(3-fluorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43500929

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-fluorophenoxy)-2-methylbutan-1-ol?
The IUPAC name of 2-amino-4-(3-fluorophenoxy)-2-methylbutan-1-ol (CID 64804560) is 2-amino-4-(3-fluorophenoxy)-2-methylbutan-1-ol.
What is the SMILES notation for 2-amino-4-(3-fluorophenoxy)-2-methylbutan-1-ol?
The canonical SMILES for 2-amino-4-(3-fluorophenoxy)-2-methylbutan-1-ol is CC(N)(CO)CCOc1cccc(F)c1.
What is the InChIKey of 2-amino-4-(3-fluorophenoxy)-2-methylbutan-1-ol?
The InChIKey is WECCLWWVNKLVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-11(13,8-14)5-6-15-10-4-2-3-9(12)7-10/h2-4,7,14H,5-6,8,13H2,1H3.
What are the key properties of 2-amino-4-(3-fluorophenoxy)-2-methylbutan-1-ol?
2-amino-4-(3-fluorophenoxy)-2-methylbutan-1-ol has a molecular weight of 213.25 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-fluorophenoxy)-2-methylbutan-1-ol is sourced from PubChem (CID 64804560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).