4-amino-1-(4-tert-butylphenoxy)butan-2-ol

C14H23NO2 — CID 112500941

IUPAC4-amino-1-(4-tert-butylphenoxy)butan-2-ol
SMILESCC(C)(C)c1ccc(OCC(O)CCN)cc1
InChIInChI=1S/C14H23NO2/c1-14(2,3)11-4-6-13(7-5-11)17-10-12(16)8-9-15/h4-7,12,16H,8-10,15H2,1-3H3
InChIKeyFTBDSSNTYXSGHD-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.07
Rot. Bonds5

About 4-amino-1-(4-tert-butylphenoxy)butan-2-ol

4-amino-1-(4-tert-butylphenoxy)butan-2-ol (PubChem CID 112500941) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-amino-1-(4-tert-butylphenoxy)butan-2-ol.

Molecular Properties

Compound Name4-amino-1-(4-tert-butylphenoxy)butan-2-ol
PubChem CID112500941
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-amino-1-(4-tert-butylphenoxy)butan-2-ol
SMILESCC(C)(C)c1ccc(OCC(O)CCN)cc1
InChIInChI=1S/C14H23NO2/c1-14(2,3)11-4-6-13(7-5-11)17-10-12(16)8-9-15/h4-7,12,16H,8-10,15H2,1-3H3
InChIKeyFTBDSSNTYXSGHD-UHFFFAOYSA-N
XLogP2.07
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenoxy)-3-(3,5-ditert-butylphenoxy)propan-2-ol
CID 140533056
[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 6940656
tert-butyl-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]azanium
CID 2046218
1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol
CID 2843556
(2R)-1-amino-3-[4-(2-methylbutan-2-yl)phenoxy]propan-2-ol
CID 9159137
[(2R)-butan-2-yl]-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]azanium
CID 2438807
[3-(4-tert-butylphenoxy)-2-hydroxypropyl] 4-methylpentanoate
CID 165377990
methyl (3S)-4-(4-tert-butylphenoxy)-3-hydroxybutanoate
CID 125470030
(2S)-1-amino-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol
CID 9159184
1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241736
1-(aminomethylamino)-3-[4-[2-[4-[3-(aminomethylamino)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 58779484
1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]pentan-2-ol
CID 71211206

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-tert-butylphenoxy)butan-2-ol?
The IUPAC name of 4-amino-1-(4-tert-butylphenoxy)butan-2-ol (CID 112500941) is 4-amino-1-(4-tert-butylphenoxy)butan-2-ol.
What is the SMILES notation for 4-amino-1-(4-tert-butylphenoxy)butan-2-ol?
The canonical SMILES for 4-amino-1-(4-tert-butylphenoxy)butan-2-ol is CC(C)(C)c1ccc(OCC(O)CCN)cc1.
What is the InChIKey of 4-amino-1-(4-tert-butylphenoxy)butan-2-ol?
The InChIKey is FTBDSSNTYXSGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(2,3)11-4-6-13(7-5-11)17-10-12(16)8-9-15/h4-7,12,16H,8-10,15H2,1-3H3.
What are the key properties of 4-amino-1-(4-tert-butylphenoxy)butan-2-ol?
4-amino-1-(4-tert-butylphenoxy)butan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-tert-butylphenoxy)butan-2-ol is sourced from PubChem (CID 112500941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).