3-[2-[(cyclopropylamino)methyl]-6-methylphenoxy]propane-1,2-diol

C14H21NO3 — CID 112609987

IUPAC3-[2-[(cyclopropylamino)methyl]-6-methylphenoxy]propane-1,2-diol
SMILESCc1cccc(CNC2CC2)c1OCC(O)CO
InChIInChI=1S/C14H21NO3/c1-10-3-2-4-11(7-15-12-5-6-12)14(10)18-9-13(17)8-16/h2-4,12-13,15-17H,5-9H2,1H3
InChIKeyRYZCXZAQEFBRQD-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.98
Rot. Bonds7

About 3-[2-[(cyclopropylamino)methyl]-6-methylphenoxy]propane-1,2-diol

3-[2-[(cyclopropylamino)methyl]-6-methylphenoxy]propane-1,2-diol (PubChem CID 112609987) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[2-[(cyclopropylamino)methyl]-6-methylphenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-[(cyclopropylamino)methyl]-6-methylphenoxy]propane-1,2-diol
PubChem CID112609987
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-[2-[(cyclopropylamino)methyl]-6-methylphenoxy]propane-1,2-diol
SMILESCc1cccc(CNC2CC2)c1OCC(O)CO
InChIInChI=1S/C14H21NO3/c1-10-3-2-4-11(7-15-12-5-6-12)14(10)18-9-13(17)8-16/h2-4,12-13,15-17H,5-9H2,1H3
InChIKeyRYZCXZAQEFBRQD-UHFFFAOYSA-N
XLogP0.98
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[2-[(cyclopropylamino)methyl]-6-methylphenoxy]propane-1,2-diol 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

3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]propane-1,2-diol
CID 112609889
3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propane-1,2-diol
CID 112609791
3-[2-(hydroxymethyl)-6-methylphenoxy]propane-1,2-diol
CID 112612371
1-(cyclopropylamino)-3-(2,6-dimethylphenoxy)propan-2-ol
CID 43090638
N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine
CID 97179093
N-[[2-(cyclobutylmethoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112609988
N-[[2-(ethoxymethoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112610024
N-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropanamine
CID 112609978
N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]cyclopropanamine
CID 112609975
N-[[2-(3-ethoxypropoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112610027
1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol
CID 63931067
N-[[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 115953912

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(cyclopropylamino)methyl]-6-methylphenoxy]propane-1,2-diol?
The IUPAC name of 3-[2-[(cyclopropylamino)methyl]-6-methylphenoxy]propane-1,2-diol (CID 112609987) is 3-[2-[(cyclopropylamino)methyl]-6-methylphenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[2-[(cyclopropylamino)methyl]-6-methylphenoxy]propane-1,2-diol?
The canonical SMILES for 3-[2-[(cyclopropylamino)methyl]-6-methylphenoxy]propane-1,2-diol is Cc1cccc(CNC2CC2)c1OCC(O)CO.
What is the InChIKey of 3-[2-[(cyclopropylamino)methyl]-6-methylphenoxy]propane-1,2-diol?
The InChIKey is RYZCXZAQEFBRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-3-2-4-11(7-15-12-5-6-12)14(10)18-9-13(17)8-16/h2-4,12-13,15-17H,5-9H2,1H3.
What are the key properties of 3-[2-[(cyclopropylamino)methyl]-6-methylphenoxy]propane-1,2-diol?
3-[2-[(cyclopropylamino)methyl]-6-methylphenoxy]propane-1,2-diol has a molecular weight of 251.33 g/mol, XLogP of 0.98, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(cyclopropylamino)methyl]-6-methylphenoxy]propane-1,2-diol is sourced from PubChem (CID 112609987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).