amino-(4-ethoxyphenyl)methanol

C9H13NO2 — CID 116939610

IUPACamino-(4-ethoxyphenyl)methanol
SMILESCCOc1ccc(C(N)O)cc1
InChIInChI=1S/C9H13NO2/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6,9,11H,2,10H2,1H3
InChIKeyIDRMTJNLPYHAMM-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.03
Rot. Bonds3

About amino-(4-ethoxyphenyl)methanol

amino-(4-ethoxyphenyl)methanol (PubChem CID 116939610) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is amino-(4-ethoxyphenyl)methanol.

Molecular Properties

Compound Nameamino-(4-ethoxyphenyl)methanol
PubChem CID116939610
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Nameamino-(4-ethoxyphenyl)methanol
SMILESCCOc1ccc(C(N)O)cc1
InChIInChI=1S/C9H13NO2/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6,9,11H,2,10H2,1H3
InChIKeyIDRMTJNLPYHAMM-UHFFFAOYSA-N
XLogP1.03
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R)-1-amino-1-(4-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171266991
3-amino-3-(4-ethoxyphenyl)propan-1-ol
CID 3846701
2-amino-5-(4-ethoxyphenyl)hexan-3-ol
CID 83932254
1-(4-ethoxyphenyl)-2,2-difluoroethanol
CID 80604264
1-(4-ethoxyphenyl)-2-methylbutan-1-amine
CID 12771706
(4-ethoxyphenyl)-(methylamino)methanol
CID 116954646
methyl 2-(4-ethoxyphenyl)-2-hydroxyacetate
CID 62214123
(2S)-2-amino-2-(4-ethoxyphenyl)acetic acid;hydrochloride
CID 162344172
(1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171200689
2-(4-ethoxyphenyl)pentan-3-amine
CID 79308575
3-[2-amino-2-(4-ethoxyphenyl)ethyl]sulfanylpropane-1,2-diol
CID 79671253
2-(4-ethoxyphenyl)-3-hydroxybutanamide
CID 152610342

Frequently Asked Questions

What is the IUPAC name of amino-(4-ethoxyphenyl)methanol?
The IUPAC name of amino-(4-ethoxyphenyl)methanol (CID 116939610) is amino-(4-ethoxyphenyl)methanol.
What is the SMILES notation for amino-(4-ethoxyphenyl)methanol?
The canonical SMILES for amino-(4-ethoxyphenyl)methanol is CCOc1ccc(C(N)O)cc1.
What is the InChIKey of amino-(4-ethoxyphenyl)methanol?
The InChIKey is IDRMTJNLPYHAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6,9,11H,2,10H2,1H3.
What are the key properties of amino-(4-ethoxyphenyl)methanol?
amino-(4-ethoxyphenyl)methanol has a molecular weight of 167.21 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(4-ethoxyphenyl)methanol is sourced from PubChem (CID 116939610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).