1-amino-2-cyclopropyl-3-(2-methylphenoxy)propan-2-ol

C13H19NO2 — CID 64814214

IUPAC1-amino-2-cyclopropyl-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)(CN)C1CC1
InChIInChI=1S/C13H19NO2/c1-10-4-2-3-5-12(10)16-9-13(15,8-14)11-6-7-11/h2-5,11,15H,6-9,14H2,1H3
InChIKeyKEIVUAJCICNGEP-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.47
Rot. Bonds5

About 1-amino-2-cyclopropyl-3-(2-methylphenoxy)propan-2-ol

1-amino-2-cyclopropyl-3-(2-methylphenoxy)propan-2-ol (PubChem CID 64814214) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-amino-2-cyclopropyl-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-cyclopropyl-3-(2-methylphenoxy)propan-2-ol
PubChem CID64814214
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-amino-2-cyclopropyl-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)(CN)C1CC1
InChIInChI=1S/C13H19NO2/c1-10-4-2-3-5-12(10)16-9-13(15,8-14)11-6-7-11/h2-5,11,15H,6-9,14H2,1H3
InChIKeyKEIVUAJCICNGEP-UHFFFAOYSA-N
XLogP1.47
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-2-cyclopropyl-3-(2-methylphenoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propan-2-ol
CID 64812126
2-amino-2-cyclopropyl-3-(2-methylphenoxy)propan-1-ol
CID 64803341
1-amino-3-(2-tert-butyl-4-methylphenoxy)-2-cyclopropylpropan-2-ol
CID 64813786
ethane;2-methyl-1-(2-methylphenoxy)propan-2-ol
CID 177208153
2-cyclopropyl-2-(ethylamino)-3-(2-methylphenoxy)propanoic acid
CID 63919210
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 52907058
2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylphenoxy)propanoic acid
CID 63919213
1-methyl-2-(2,2,3,3-tetramethylbutoxy)benzene
CID 158477998
1-(cyclopentylmethoxy)-2-methylbenzene
CID 59117156
2,2-dimethyl-3-(2-methylphenoxy)propanethioamide
CID 82080504
ethene;(2-methylphenoxy)methanamine
CID 174405951
2-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propanamide
CID 63920183

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopropyl-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-amino-2-cyclopropyl-3-(2-methylphenoxy)propan-2-ol (CID 64814214) is 1-amino-2-cyclopropyl-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-amino-2-cyclopropyl-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-amino-2-cyclopropyl-3-(2-methylphenoxy)propan-2-ol is Cc1ccccc1OCC(O)(CN)C1CC1.
What is the InChIKey of 1-amino-2-cyclopropyl-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is KEIVUAJCICNGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-4-2-3-5-12(10)16-9-13(15,8-14)11-6-7-11/h2-5,11,15H,6-9,14H2,1H3.
What are the key properties of 1-amino-2-cyclopropyl-3-(2-methylphenoxy)propan-2-ol?
1-amino-2-cyclopropyl-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 221.30 g/mol, XLogP of 1.47, 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-methylphenoxy)propan-2-ol is sourced from PubChem (CID 64814214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).