1-[1-(4-amino-3-methoxyphenyl)ethoxy]ethanol

C11H17NO3 — CID 164533630

IUPAC1-[1-(4-amino-3-methoxyphenyl)ethoxy]ethanol
SMILESCOc1cc(C(C)OC(C)O)ccc1N
InChIInChI=1S/C11H17NO3/c1-7(15-8(2)13)9-4-5-10(12)11(6-9)14-3/h4-8,13H,12H2,1-3H3
InChIKeyIVBDPRTUFNKDNZ-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.69
Rot. Bonds4

About 1-[1-(4-amino-3-methoxyphenyl)ethoxy]ethanol

1-[1-(4-amino-3-methoxyphenyl)ethoxy]ethanol (PubChem CID 164533630) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[1-(4-amino-3-methoxyphenyl)ethoxy]ethanol.

Molecular Properties

Compound Name1-[1-(4-amino-3-methoxyphenyl)ethoxy]ethanol
PubChem CID164533630
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-[1-(4-amino-3-methoxyphenyl)ethoxy]ethanol
SMILESCOc1cc(C(C)OC(C)O)ccc1N
InChIInChI=1S/C11H17NO3/c1-7(15-8(2)13)9-4-5-10(12)11(6-9)14-3/h4-8,13H,12H2,1-3H3
InChIKeyIVBDPRTUFNKDNZ-UHFFFAOYSA-N
XLogP1.69
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4-amino-3-methoxyphenyl)-phenylmethanol
CID 67532906
4-[4-[1-[4-(4-amino-3-methoxyphenoxy)phenyl]ethyl]phenoxy]-2-methoxyaniline
CID 139713080
N-[3-(4-amino-3-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830189
(1S,2S)-1-amino-1-(3-amino-4-methoxyphenyl)propan-2-ol
CID 55269885
(1R,2S)-1-amino-1-(3-amino-4-methoxyphenyl)propan-2-ol
CID 55269657
4-[4-[1-[4-(4-aminophenoxy)phenyl]ethyl]phenoxy]-2-methoxyaniline
CID 139712997
4-[(4-amino-3-methoxyphenyl)-(4-nitrophenyl)methyl]-2-methoxyaniline
CID 71480758
amino-(2-methoxy-4-propan-2-ylphenyl)methanol
CID 116939637
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene
CID 157477717
CID 123653070
CID 123653070
(1R,2S)-1-amino-1-(3,4-dimethoxyphenyl)-3-methylbutan-2-ol
CID 171160772

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-amino-3-methoxyphenyl)ethoxy]ethanol?
The IUPAC name of 1-[1-(4-amino-3-methoxyphenyl)ethoxy]ethanol (CID 164533630) is 1-[1-(4-amino-3-methoxyphenyl)ethoxy]ethanol.
What is the SMILES notation for 1-[1-(4-amino-3-methoxyphenyl)ethoxy]ethanol?
The canonical SMILES for 1-[1-(4-amino-3-methoxyphenyl)ethoxy]ethanol is COc1cc(C(C)OC(C)O)ccc1N.
What is the InChIKey of 1-[1-(4-amino-3-methoxyphenyl)ethoxy]ethanol?
The InChIKey is IVBDPRTUFNKDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7(15-8(2)13)9-4-5-10(12)11(6-9)14-3/h4-8,13H,12H2,1-3H3.
What are the key properties of 1-[1-(4-amino-3-methoxyphenyl)ethoxy]ethanol?
1-[1-(4-amino-3-methoxyphenyl)ethoxy]ethanol has a molecular weight of 211.26 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-amino-3-methoxyphenyl)ethoxy]ethanol is sourced from PubChem (CID 164533630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).