1-[(2-chlorophenyl)methoxy]-3-(cyclopropylamino)propan-2-ol

C13H18ClNO2 — CID 43090643

IUPAC1-[(2-chlorophenyl)methoxy]-3-(cyclopropylamino)propan-2-ol
SMILESOC(CNC1CC1)COCc1ccccc1Cl
InChIInChI=1S/C13H18ClNO2/c14-13-4-2-1-3-10(13)8-17-9-12(16)7-15-11-5-6-11/h1-4,11-12,15-16H,5-9H2
InChIKeyYLDAQBDYTZFXMR-UHFFFAOYSA-N
MW255.74 g/mol
LogP1.97
Rot. Bonds7

About 1-[(2-chlorophenyl)methoxy]-3-(cyclopropylamino)propan-2-ol

1-[(2-chlorophenyl)methoxy]-3-(cyclopropylamino)propan-2-ol (PubChem CID 43090643) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methoxy]-3-(cyclopropylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methoxy]-3-(cyclopropylamino)propan-2-ol
PubChem CID43090643
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name1-[(2-chlorophenyl)methoxy]-3-(cyclopropylamino)propan-2-ol
SMILESOC(CNC1CC1)COCc1ccccc1Cl
InChIInChI=1S/C13H18ClNO2/c14-13-4-2-1-3-10(13)8-17-9-12(16)7-15-11-5-6-11/h1-4,11-12,15-16H,5-9H2
InChIKeyYLDAQBDYTZFXMR-UHFFFAOYSA-N
XLogP1.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2-chlorophenyl)methoxy]-3-(cyclopropylamino)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-[(2-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol;oxalic acid
CID 126456729
(2S)-1-[(2-chlorophenyl)methoxy]-3-[[(3R)-1,1-dioxothiolan-3-yl]amino]propan-2-ol
CID 2093688
(2R)-1-[(2-chlorophenyl)methoxy]-3-[[(3R)-1,1-dioxothiolan-3-yl]amino]propan-2-ol
CID 2093686
1-(cyclopropylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 3604770
(2R)-1-(1-adamantylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 7984944
1-(butan-2-ylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 60633320
1-[(2-chlorophenyl)methyl-methylamino]-3-(cyclopropylamino)propan-2-ol
CID 61416955
1-[(2-chlorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469297
1-[(2-chlorophenyl)methoxy]-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616799
1-[(2-chlorophenyl)methoxy]-3-(2-fluoroanilino)propan-2-ol
CID 60896667
1-[(4-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol
CID 60635580
2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-ethylbutan-1-ol
CID 62517459

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methoxy]-3-(cyclopropylamino)propan-2-ol?
The IUPAC name of 1-[(2-chlorophenyl)methoxy]-3-(cyclopropylamino)propan-2-ol (CID 43090643) is 1-[(2-chlorophenyl)methoxy]-3-(cyclopropylamino)propan-2-ol.
What is the SMILES notation for 1-[(2-chlorophenyl)methoxy]-3-(cyclopropylamino)propan-2-ol?
The canonical SMILES for 1-[(2-chlorophenyl)methoxy]-3-(cyclopropylamino)propan-2-ol is OC(CNC1CC1)COCc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methoxy]-3-(cyclopropylamino)propan-2-ol?
The InChIKey is YLDAQBDYTZFXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c14-13-4-2-1-3-10(13)8-17-9-12(16)7-15-11-5-6-11/h1-4,11-12,15-16H,5-9H2.
What are the key properties of 1-[(2-chlorophenyl)methoxy]-3-(cyclopropylamino)propan-2-ol?
1-[(2-chlorophenyl)methoxy]-3-(cyclopropylamino)propan-2-ol has a molecular weight of 255.74 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methoxy]-3-(cyclopropylamino)propan-2-ol is sourced from PubChem (CID 43090643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).