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

C13H19NO3 — CID 64803133

IUPAC2-amino-2-cyclopropyl-3-(4-methoxyphenoxy)propan-1-ol
SMILESCOc1ccc(OCC(N)(CO)C2CC2)cc1
InChIInChI=1S/C13H19NO3/c1-16-11-4-6-12(7-5-11)17-9-13(14,8-15)10-2-3-10/h4-7,10,15H,2-3,8-9,14H2,1H3
InChIKeySOLVAZOLJJOFAI-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.17
Rot. Bonds6

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

2-amino-2-cyclopropyl-3-(4-methoxyphenoxy)propan-1-ol (PubChem CID 64803133) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(4-methoxyphenoxy)propan-1-ol.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(4-methoxyphenoxy)propan-1-ol
PubChem CID64803133
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-amino-2-cyclopropyl-3-(4-methoxyphenoxy)propan-1-ol
SMILESCOc1ccc(OCC(N)(CO)C2CC2)cc1
InChIInChI=1S/C13H19NO3/c1-16-11-4-6-12(7-5-11)17-9-13(14,8-15)10-2-3-10/h4-7,10,15H,2-3,8-9,14H2,1H3
InChIKeySOLVAZOLJJOFAI-UHFFFAOYSA-N
XLogP1.17
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-cyclopropyl-3-(2-methylphenoxy)propan-1-ol
CID 64803341
2-amino-2-cyclopropyl-3-(2,6-difluorophenoxy)propan-1-ol
CID 81269349
2-cyclopropyl-4-(4-methoxyphenoxy)-2-methylbutan-1-ol
CID 83150034
3-(4-methoxyphenoxy)-2,2-dimethylpropan-1-ol
CID 11031093
1-(4-methoxyphenoxy)-2-methylpropan-2-amine
CID 18349748
ethyl 2-cyclopropyl-3-(4-methoxyphenoxy)-2-(methylamino)propanoate
CID 63920001
(4-methoxyphenoxy)methanol
CID 20580272
2-amino-2-cyclopropylbutan-1-ol
CID 64919158
methyl 2-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propanoate
CID 63918810
2-cyclopropyl-N-[2-(4-methoxyphenoxy)ethyl]propan-2-amine
CID 113357130
2-amino-2-cyclopropyl-3-(3,3-dimethylbutoxy)propan-1-ol
CID 66225530
1-(2,2-dimethylbutoxy)-4-methoxybenzene
CID 70980088

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(4-methoxyphenoxy)propan-1-ol?
The IUPAC name of 2-amino-2-cyclopropyl-3-(4-methoxyphenoxy)propan-1-ol (CID 64803133) is 2-amino-2-cyclopropyl-3-(4-methoxyphenoxy)propan-1-ol.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(4-methoxyphenoxy)propan-1-ol?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(4-methoxyphenoxy)propan-1-ol is COc1ccc(OCC(N)(CO)C2CC2)cc1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(4-methoxyphenoxy)propan-1-ol?
The InChIKey is SOLVAZOLJJOFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-16-11-4-6-12(7-5-11)17-9-13(14,8-15)10-2-3-10/h4-7,10,15H,2-3,8-9,14H2,1H3.
What are the key properties of 2-amino-2-cyclopropyl-3-(4-methoxyphenoxy)propan-1-ol?
2-amino-2-cyclopropyl-3-(4-methoxyphenoxy)propan-1-ol has a molecular weight of 237.30 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(4-methoxyphenoxy)propan-1-ol is sourced from PubChem (CID 64803133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).