2-amino-1-[2-methoxy-5-(oxan-4-yl)phenyl]ethanol

C14H21NO3 — CID 117381624

IUPAC2-amino-1-[2-methoxy-5-(oxan-4-yl)phenyl]ethanol
SMILESCOc1ccc(C2CCOCC2)cc1C(O)CN
InChIInChI=1S/C14H21NO3/c1-17-14-3-2-11(8-12(14)13(16)9-15)10-4-6-18-7-5-10/h2-3,8,10,13,16H,4-7,9,15H2,1H3
InChIKeyYOPNKFBIZMNXMO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.58
Rot. Bonds4

About 2-amino-1-[2-methoxy-5-(oxan-4-yl)phenyl]ethanol

2-amino-1-[2-methoxy-5-(oxan-4-yl)phenyl]ethanol (PubChem CID 117381624) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-amino-1-[2-methoxy-5-(oxan-4-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[2-methoxy-5-(oxan-4-yl)phenyl]ethanol
PubChem CID117381624
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-amino-1-[2-methoxy-5-(oxan-4-yl)phenyl]ethanol
SMILESCOc1ccc(C2CCOCC2)cc1C(O)CN
InChIInChI=1S/C14H21NO3/c1-17-14-3-2-11(8-12(14)13(16)9-15)10-4-6-18-7-5-10/h2-3,8,10,13,16H,4-7,9,15H2,1H3
InChIKeyYOPNKFBIZMNXMO-UHFFFAOYSA-N
XLogP1.58
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-methoxy-5-(oxan-4-yl)phenyl]butan-1-amine
CID 117413737
3-amino-3-[2-methoxy-5-(oxan-4-yl)phenyl]propanoic acid
CID 117447910
2-[2-methoxy-5-(oxan-4-yl)phenyl]propanoic acid
CID 117415323
2-[2-methoxy-5-(oxan-4-yl)phenyl]acetic acid
CID 117379181
2-amino-1-(2-methoxy-5-morpholin-4-ylphenyl)ethanol
CID 117384184
1-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]cyclopropan-1-amine
CID 117408208
3-amino-2-(2-methoxy-5-methylphenyl)-1-(oxan-4-yl)propan-1-ol
CID 65185434
3-amino-2-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)propan-1-ol
CID 65189959
ethyl 2-(5-cyclopentyl-2-methoxyphenyl)-2-hydroxyacetate
CID 117446205
2-(5-cyclopentyl-2-methoxyphenyl)propan-1-ol
CID 117341035
2-amino-1-[5-(dimethylamino)-2-methoxyphenyl]ethanol
CID 117300657
4-[[2-methoxy-5-(oxan-4-yl)phenyl]methyl]piperidine
CID 117467793

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-methoxy-5-(oxan-4-yl)phenyl]ethanol?
The IUPAC name of 2-amino-1-[2-methoxy-5-(oxan-4-yl)phenyl]ethanol (CID 117381624) is 2-amino-1-[2-methoxy-5-(oxan-4-yl)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[2-methoxy-5-(oxan-4-yl)phenyl]ethanol?
The canonical SMILES for 2-amino-1-[2-methoxy-5-(oxan-4-yl)phenyl]ethanol is COc1ccc(C2CCOCC2)cc1C(O)CN.
What is the InChIKey of 2-amino-1-[2-methoxy-5-(oxan-4-yl)phenyl]ethanol?
The InChIKey is YOPNKFBIZMNXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-14-3-2-11(8-12(14)13(16)9-15)10-4-6-18-7-5-10/h2-3,8,10,13,16H,4-7,9,15H2,1H3.
What are the key properties of 2-amino-1-[2-methoxy-5-(oxan-4-yl)phenyl]ethanol?
2-amino-1-[2-methoxy-5-(oxan-4-yl)phenyl]ethanol has a molecular weight of 251.33 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-methoxy-5-(oxan-4-yl)phenyl]ethanol is sourced from PubChem (CID 117381624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).