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

C15H23NO3 — CID 114358073

IUPAC3-amino-3-cyclopropyl-2-(4-propoxyphenoxy)propan-1-ol
SMILESCCCOc1ccc(OC(CO)C(N)C2CC2)cc1
InChIInChI=1S/C15H23NO3/c1-2-9-18-12-5-7-13(8-6-12)19-14(10-17)15(16)11-3-4-11/h5-8,11,14-15,17H,2-4,9-10,16H2,1H3
InChIKeyREEXXWXIHDOURJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.95
Rot. Bonds8

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

3-amino-3-cyclopropyl-2-(4-propoxyphenoxy)propan-1-ol (PubChem CID 114358073) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-2-(4-propoxyphenoxy)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-2-(4-propoxyphenoxy)propan-1-ol
PubChem CID114358073
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-amino-3-cyclopropyl-2-(4-propoxyphenoxy)propan-1-ol
SMILESCCCOc1ccc(OC(CO)C(N)C2CC2)cc1
InChIInChI=1S/C15H23NO3/c1-2-9-18-12-5-7-13(8-6-12)19-14(10-17)15(16)11-3-4-11/h5-8,11,14-15,17H,2-4,9-10,16H2,1H3
InChIKeyREEXXWXIHDOURJ-UHFFFAOYSA-N
XLogP1.95
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 114357850
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CID 114358352
3-amino-4-methoxy-2-(4-propoxyphenoxy)butan-1-ol
CID 114358070
3-amino-3-cyclopropyl-2-(3-fluoro-4-methylphenoxy)propan-1-ol
CID 107168863
(4-ethylcyclohexyl)-(4-propoxyphenyl)methanamine
CID 65393938
1-propan-2-yloxy-4-propoxybenzene
CID 57276091
3-amino-3-cyclopropyl-2-(3,4,5-trimethoxyphenoxy)propan-1-ol
CID 114358382
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
2-cycloheptyl-1-(4-propoxyphenyl)ethanamine
CID 115853480
2-(cyclopropylmethoxy)-1-(4-propoxyphenyl)ethanamine
CID 43211713
2-butoxy-1-(4-propoxyphenyl)ethanamine
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2-(cyclopentylmethoxy)-1-(4-propoxyphenyl)ethanamine
CID 66323892

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-2-(4-propoxyphenoxy)propan-1-ol?
The IUPAC name of 3-amino-3-cyclopropyl-2-(4-propoxyphenoxy)propan-1-ol (CID 114358073) is 3-amino-3-cyclopropyl-2-(4-propoxyphenoxy)propan-1-ol.
What is the SMILES notation for 3-amino-3-cyclopropyl-2-(4-propoxyphenoxy)propan-1-ol?
The canonical SMILES for 3-amino-3-cyclopropyl-2-(4-propoxyphenoxy)propan-1-ol is CCCOc1ccc(OC(CO)C(N)C2CC2)cc1.
What is the InChIKey of 3-amino-3-cyclopropyl-2-(4-propoxyphenoxy)propan-1-ol?
The InChIKey is REEXXWXIHDOURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-9-18-12-5-7-13(8-6-12)19-14(10-17)15(16)11-3-4-11/h5-8,11,14-15,17H,2-4,9-10,16H2,1H3.
What are the key properties of 3-amino-3-cyclopropyl-2-(4-propoxyphenoxy)propan-1-ol?
3-amino-3-cyclopropyl-2-(4-propoxyphenoxy)propan-1-ol has a molecular weight of 265.35 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-2-(4-propoxyphenoxy)propan-1-ol is sourced from PubChem (CID 114358073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).