3-amino-3-cyclopropyl-2-(3,4,5-trimethoxyphenoxy)propan-1-ol

C15H23NO5 — CID 114358382

IUPAC3-amino-3-cyclopropyl-2-(3,4,5-trimethoxyphenoxy)propan-1-ol
SMILESCOc1cc(OC(CO)C(N)C2CC2)cc(OC)c1OC
InChIInChI=1S/C15H23NO5/c1-18-11-6-10(7-12(19-2)15(11)20-3)21-13(8-17)14(16)9-4-5-9/h6-7,9,13-14,17H,4-5,8,16H2,1-3H3
InChIKeyMZPVXJDXYBGPEH-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.19
Rot. Bonds8

About 3-amino-3-cyclopropyl-2-(3,4,5-trimethoxyphenoxy)propan-1-ol

3-amino-3-cyclopropyl-2-(3,4,5-trimethoxyphenoxy)propan-1-ol (PubChem CID 114358382) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-2-(3,4,5-trimethoxyphenoxy)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-2-(3,4,5-trimethoxyphenoxy)propan-1-ol
PubChem CID114358382
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name3-amino-3-cyclopropyl-2-(3,4,5-trimethoxyphenoxy)propan-1-ol
SMILESCOc1cc(OC(CO)C(N)C2CC2)cc(OC)c1OC
InChIInChI=1S/C15H23NO5/c1-18-11-6-10(7-12(19-2)15(11)20-3)21-13(8-17)14(16)9-4-5-9/h6-7,9,13-14,17H,4-5,8,16H2,1-3H3
InChIKeyMZPVXJDXYBGPEH-UHFFFAOYSA-N
XLogP1.19
TPSA83.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-3-cyclopropyl-2-(4-propan-2-ylphenoxy)propan-1-ol
CID 114357850
3-amino-3-cyclopropyl-2-(3-fluoro-4-methylphenoxy)propan-1-ol
CID 107168863
(1R)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 171199612
(1S)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride
CID 171219140
1-cyclopentyl-2-(3,4,5-trimethoxyphenoxy)ethanamine
CID 104749742
(S)-cyclobutyl-(3,4,5-trimethoxyphenyl)methanamine
CID 171219146
(S)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride
CID 171219149
(R)-cyclopentyl-(3,4,5-trimethoxyphenyl)methanamine;hydrochloride
CID 171199622
1-cyclopropyl-2-[1-(3,4,5-trimethoxyphenyl)ethylamino]ethanol
CID 63295210
2-(cyclopropylmethylamino)-2-(3,4,5-trimethoxyphenyl)ethanol
CID 61054231
(1R,2S)-2-(2,6-dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diol
CID 14135965
4-(3,4,5-trimethoxyphenoxy)pentan-2-one
CID 113408873

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-2-(3,4,5-trimethoxyphenoxy)propan-1-ol?
The IUPAC name of 3-amino-3-cyclopropyl-2-(3,4,5-trimethoxyphenoxy)propan-1-ol (CID 114358382) is 3-amino-3-cyclopropyl-2-(3,4,5-trimethoxyphenoxy)propan-1-ol.
What is the SMILES notation for 3-amino-3-cyclopropyl-2-(3,4,5-trimethoxyphenoxy)propan-1-ol?
The canonical SMILES for 3-amino-3-cyclopropyl-2-(3,4,5-trimethoxyphenoxy)propan-1-ol is COc1cc(OC(CO)C(N)C2CC2)cc(OC)c1OC.
What is the InChIKey of 3-amino-3-cyclopropyl-2-(3,4,5-trimethoxyphenoxy)propan-1-ol?
The InChIKey is MZPVXJDXYBGPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-18-11-6-10(7-12(19-2)15(11)20-3)21-13(8-17)14(16)9-4-5-9/h6-7,9,13-14,17H,4-5,8,16H2,1-3H3.
What are the key properties of 3-amino-3-cyclopropyl-2-(3,4,5-trimethoxyphenoxy)propan-1-ol?
3-amino-3-cyclopropyl-2-(3,4,5-trimethoxyphenoxy)propan-1-ol has a molecular weight of 297.35 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-2-(3,4,5-trimethoxyphenoxy)propan-1-ol is sourced from PubChem (CID 114358382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).