2-amino-3-(2-phenylethoxy)propan-1-ol

C11H17NO2 — CID 77236117

IUPAC2-amino-3-(2-phenylethoxy)propan-1-ol
SMILESNC(CO)COCCc1ccccc1
InChIInChI=1S/C11H17NO2/c12-11(8-13)9-14-7-6-10-4-2-1-3-5-10/h1-5,11,13H,6-9,12H2
InChIKeyPTZBLQJSLUBYCA-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.57
Rot. Bonds6

About 2-amino-3-(2-phenylethoxy)propan-1-ol

2-amino-3-(2-phenylethoxy)propan-1-ol (PubChem CID 77236117) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-amino-3-(2-phenylethoxy)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2-phenylethoxy)propan-1-ol
PubChem CID77236117
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-amino-3-(2-phenylethoxy)propan-1-ol
SMILESNC(CO)COCCc1ccccc1
InChIInChI=1S/C11H17NO2/c12-11(8-13)9-14-7-6-10-4-2-1-3-5-10/h1-5,11,13H,6-9,12H2
InChIKeyPTZBLQJSLUBYCA-UHFFFAOYSA-N
XLogP0.57
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(2-phenylethoxy)propanamide
CID 114989411
2-amino-4-phenylbutan-1-ol
CID 159249603
2-amino-4-phenylbutan-1-ol;hydrochloride
CID 132647955
1-phenyl-3-(2-phenylethoxy)propan-2-ol
CID 150542863
(2R)-2-amino-5-phenylpentan-1-ol
CID 20677771
1-(2-phenylethoxy)butane-2,3-diol
CID 175116942
3-(3-phenylpropoxy)propane-1,2-diol
CID 66597635
2-(2-phenylethoxymethoxy)ethylbenzene
CID 14767491
1-[2-(2-aminoethoxy)ethoxy]-5-phenylpentan-2-amine
CID 153322921
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961
benzyl (3R)-3-hydroxy-4-(2-phenylethoxy)butanoate
CID 134919320
2-[2-aminoethyl-[1-carboxy-2-(2-phenylethoxy)ethyl]amino]-3-(2-phenylethoxy)propanoic acid
CID 57302863

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-phenylethoxy)propan-1-ol?
The IUPAC name of 2-amino-3-(2-phenylethoxy)propan-1-ol (CID 77236117) is 2-amino-3-(2-phenylethoxy)propan-1-ol.
What is the SMILES notation for 2-amino-3-(2-phenylethoxy)propan-1-ol?
The canonical SMILES for 2-amino-3-(2-phenylethoxy)propan-1-ol is NC(CO)COCCc1ccccc1.
What is the InChIKey of 2-amino-3-(2-phenylethoxy)propan-1-ol?
The InChIKey is PTZBLQJSLUBYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c12-11(8-13)9-14-7-6-10-4-2-1-3-5-10/h1-5,11,13H,6-9,12H2.
What are the key properties of 2-amino-3-(2-phenylethoxy)propan-1-ol?
2-amino-3-(2-phenylethoxy)propan-1-ol has a molecular weight of 195.26 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-phenylethoxy)propan-1-ol is sourced from PubChem (CID 77236117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).