[4-[2-amino-1-(3-methoxyphenyl)ethyl]morpholin-2-yl]methanol

C14H22N2O3 — CID 81206167

IUPAC[4-[2-amino-1-(3-methoxyphenyl)ethyl]morpholin-2-yl]methanol
SMILESCOc1cccc(C(CN)N2CCOC(CO)C2)c1
InChIInChI=1S/C14H22N2O3/c1-18-12-4-2-3-11(7-12)14(8-15)16-5-6-19-13(9-16)10-17/h2-4,7,13-14,17H,5-6,8-10,15H2,1H3
InChIKeyYILJIMRSWQZDRW-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.39
Rot. Bonds5

About [4-[2-amino-1-(3-methoxyphenyl)ethyl]morpholin-2-yl]methanol

[4-[2-amino-1-(3-methoxyphenyl)ethyl]morpholin-2-yl]methanol (PubChem CID 81206167) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is [4-[2-amino-1-(3-methoxyphenyl)ethyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-amino-1-(3-methoxyphenyl)ethyl]morpholin-2-yl]methanol
PubChem CID81206167
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name[4-[2-amino-1-(3-methoxyphenyl)ethyl]morpholin-2-yl]methanol
SMILESCOc1cccc(C(CN)N2CCOC(CO)C2)c1
InChIInChI=1S/C14H22N2O3/c1-18-12-4-2-3-11(7-12)14(8-15)16-5-6-19-13(9-16)10-17/h2-4,7,13-14,17H,5-6,8-10,15H2,1H3
InChIKeyYILJIMRSWQZDRW-UHFFFAOYSA-N
XLogP0.39
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-1-(3-methoxyphenyl)ethyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[2-amino-1-(3-methoxyphenyl)ethyl]morpholin-2-yl]methanol (CID 81206167) is [4-[2-amino-1-(3-methoxyphenyl)ethyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-amino-1-(3-methoxyphenyl)ethyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[2-amino-1-(3-methoxyphenyl)ethyl]morpholin-2-yl]methanol is COc1cccc(C(CN)N2CCOC(CO)C2)c1.
What is the InChIKey of [4-[2-amino-1-(3-methoxyphenyl)ethyl]morpholin-2-yl]methanol?
The InChIKey is YILJIMRSWQZDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-18-12-4-2-3-11(7-12)14(8-15)16-5-6-19-13(9-16)10-17/h2-4,7,13-14,17H,5-6,8-10,15H2,1H3.
What are the key properties of [4-[2-amino-1-(3-methoxyphenyl)ethyl]morpholin-2-yl]methanol?
[4-[2-amino-1-(3-methoxyphenyl)ethyl]morpholin-2-yl]methanol has a molecular weight of 266.34 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-1-(3-methoxyphenyl)ethyl]morpholin-2-yl]methanol is sourced from PubChem (CID 81206167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).