3-amino-1-cyclopropyl-2-(4-ethoxyphenyl)propan-1-ol

C14H21NO2 — CID 65187865

IUPAC3-amino-1-cyclopropyl-2-(4-ethoxyphenyl)propan-1-ol
SMILESCCOc1ccc(C(CN)C(O)C2CC2)cc1
InChIInChI=1S/C14H21NO2/c1-2-17-12-7-5-10(6-8-12)13(9-15)14(16)11-3-4-11/h5-8,11,13-14,16H,2-4,9,15H2,1H3
InChIKeyGUDAAKGSQBTZAQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.90
Rot. Bonds6

About 3-amino-1-cyclopropyl-2-(4-ethoxyphenyl)propan-1-ol

3-amino-1-cyclopropyl-2-(4-ethoxyphenyl)propan-1-ol (PubChem CID 65187865) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-amino-1-cyclopropyl-2-(4-ethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-cyclopropyl-2-(4-ethoxyphenyl)propan-1-ol
PubChem CID65187865
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-amino-1-cyclopropyl-2-(4-ethoxyphenyl)propan-1-ol
SMILESCCOc1ccc(C(CN)C(O)C2CC2)cc1
InChIInChI=1S/C14H21NO2/c1-2-17-12-7-5-10(6-8-12)13(9-15)14(16)11-3-4-11/h5-8,11,13-14,16H,2-4,9,15H2,1H3
InChIKeyGUDAAKGSQBTZAQ-UHFFFAOYSA-N
XLogP1.90
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-cyclopentyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
CID 65189415
3-amino-1-(2,2-dimethylcyclopentyl)-2-(4-ethoxyphenyl)propan-1-ol
CID 107185333
3-amino-1-cyclopentyl-2-(4-methoxyphenyl)propan-1-ol
CID 65185701
3-amino-1-cycloheptyl-2-(4-methoxyphenyl)propan-1-ol
CID 65185399
3-amino-1-cyclohexyl-2-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 75106370
3-amino-1-cyclooctyl-2-(4-methylphenyl)propan-1-ol
CID 65187996
2-cyclopropyl-1-(4-ethoxyphenyl)propan-1-amine
CID 83153985
1-amino-4-cyclopropyl-2-(4-methoxyphenyl)pentan-3-ol
CID 83151816
1-amino-2-(4-ethoxyphenyl)-5,6,6-trimethylheptan-3-ol
CID 65187810
4-amino-1-cyclopropyl-3-[4-(2-methylpropoxy)phenyl]butan-2-ol
CID 65189752
amino-(4-ethoxyphenyl)methanol
CID 116939610
1-cyclopropyl-N-[2-(4-ethoxyphenoxy)ethyl]ethanamine
CID 55024132

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclopropyl-2-(4-ethoxyphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-cyclopropyl-2-(4-ethoxyphenyl)propan-1-ol (CID 65187865) is 3-amino-1-cyclopropyl-2-(4-ethoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-cyclopropyl-2-(4-ethoxyphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-cyclopropyl-2-(4-ethoxyphenyl)propan-1-ol is CCOc1ccc(C(CN)C(O)C2CC2)cc1.
What is the InChIKey of 3-amino-1-cyclopropyl-2-(4-ethoxyphenyl)propan-1-ol?
The InChIKey is GUDAAKGSQBTZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-17-12-7-5-10(6-8-12)13(9-15)14(16)11-3-4-11/h5-8,11,13-14,16H,2-4,9,15H2,1H3.
What are the key properties of 3-amino-1-cyclopropyl-2-(4-ethoxyphenyl)propan-1-ol?
3-amino-1-cyclopropyl-2-(4-ethoxyphenyl)propan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclopropyl-2-(4-ethoxyphenyl)propan-1-ol is sourced from PubChem (CID 65187865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).