1-amino-4-(2-phenylphenoxy)butan-2-ol

C16H19NO2 — CID 64812948

IUPAC1-amino-4-(2-phenylphenoxy)butan-2-ol
SMILESNCC(O)CCOc1ccccc1-c1ccccc1
InChIInChI=1S/C16H19NO2/c17-12-14(18)10-11-19-16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-9,14,18H,10-12,17H2
InChIKeyQFUMQDIXKMUYAI-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.44
Rot. Bonds6

About 1-amino-4-(2-phenylphenoxy)butan-2-ol

1-amino-4-(2-phenylphenoxy)butan-2-ol (PubChem CID 64812948) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-amino-4-(2-phenylphenoxy)butan-2-ol.

Molecular Properties

Compound Name1-amino-4-(2-phenylphenoxy)butan-2-ol
PubChem CID64812948
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-amino-4-(2-phenylphenoxy)butan-2-ol
SMILESNCC(O)CCOc1ccccc1-c1ccccc1
InChIInChI=1S/C16H19NO2/c17-12-14(18)10-11-19-16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-9,14,18H,10-12,17H2
InChIKeyQFUMQDIXKMUYAI-UHFFFAOYSA-N
XLogP2.44
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-(2-fluorophenoxy)butan-2-ol
CID 55268408
2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 2876913
4-(2-phenylphenoxy)butan-1-amine;hydrochloride
CID 3046513
(2R)-1-chloro-3-(2-phenylphenoxy)propan-2-ol
CID 124571669
3-(2-phenylphenoxy)propanethioamide
CID 7745595
N'-[4-(2-phenylphenoxy)butyl]ethane-1,2-diamine
CID 2299976
1-phenyl-2-(2-propan-2-yloxyethoxy)benzene
CID 71073529
4-(2-phenylphenoxy)butanenitrile
CID 14751947
(2S)-1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol
CID 2233000
4-(2-hydroxyphenoxy)butane-1,2-diol
CID 23219139
1-(8-chlorooctoxy)-2-phenylbenzene
CID 70493005
1,5-diphenoxypentan-3-ol
CID 5314309

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(2-phenylphenoxy)butan-2-ol?
The IUPAC name of 1-amino-4-(2-phenylphenoxy)butan-2-ol (CID 64812948) is 1-amino-4-(2-phenylphenoxy)butan-2-ol.
What is the SMILES notation for 1-amino-4-(2-phenylphenoxy)butan-2-ol?
The canonical SMILES for 1-amino-4-(2-phenylphenoxy)butan-2-ol is NCC(O)CCOc1ccccc1-c1ccccc1.
What is the InChIKey of 1-amino-4-(2-phenylphenoxy)butan-2-ol?
The InChIKey is QFUMQDIXKMUYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c17-12-14(18)10-11-19-16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-9,14,18H,10-12,17H2.
What are the key properties of 1-amino-4-(2-phenylphenoxy)butan-2-ol?
1-amino-4-(2-phenylphenoxy)butan-2-ol has a molecular weight of 257.33 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(2-phenylphenoxy)butan-2-ol is sourced from PubChem (CID 64812948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).