1-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propan-2-ol

C14H21NO2 — CID 64812126

IUPAC1-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)(CN)C2CC2)c1C
InChIInChI=1S/C14H21NO2/c1-10-4-3-5-13(11(10)2)17-9-14(16,8-15)12-6-7-12/h3-5,12,16H,6-9,15H2,1-2H3
InChIKeyLAGRTXSLLWNPGQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.78
Rot. Bonds5

About 1-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propan-2-ol

1-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propan-2-ol (PubChem CID 64812126) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propan-2-ol
PubChem CID64812126
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)(CN)C2CC2)c1C
InChIInChI=1S/C14H21NO2/c1-10-4-3-5-13(11(10)2)17-9-14(16,8-15)12-6-7-12/h3-5,12,16H,6-9,15H2,1-2H3
InChIKeyLAGRTXSLLWNPGQ-UHFFFAOYSA-N
XLogP1.78
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-cyclopropyl-3-(2-methylphenoxy)propan-2-ol
CID 64814214
2-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propanamide
CID 63920183
1-amino-2-cyclopropyl-3-(3-methoxyphenoxy)propan-2-ol
CID 64812746
1-amino-3-(2-tert-butyl-4-methylphenoxy)-2-cyclopropylpropan-2-ol
CID 64813786
ethyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanoate
CID 63920579
methyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(ethylamino)propanoate
CID 63920379
1-(2,3-dimethylphenoxy)-2-methylbutan-2-ol
CID 114495975
2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanenitrile
CID 63906504
[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methanamine
CID 55077404
2-amino-2-cyclopropyl-3-(2-methylphenoxy)propan-1-ol
CID 64803341
N-(cyclopentylmethyl)-2-(2,3-dimethylphenoxy)ethanamine
CID 62572121
1-(4-aminopiperidin-1-yl)-2-(2,3-dimethylphenoxy)ethanone
CID 82042517

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propan-2-ol?
The IUPAC name of 1-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propan-2-ol (CID 64812126) is 1-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propan-2-ol?
The canonical SMILES for 1-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propan-2-ol is Cc1cccc(OCC(O)(CN)C2CC2)c1C.
What is the InChIKey of 1-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propan-2-ol?
The InChIKey is LAGRTXSLLWNPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-4-3-5-13(11(10)2)17-9-14(16,8-15)12-6-7-12/h3-5,12,16H,6-9,15H2,1-2H3.
What are the key properties of 1-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propan-2-ol?
1-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propan-2-ol is sourced from PubChem (CID 64812126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).