3-(3-methylphenyl)-1-propan-2-ylazetidin-3-ol

C13H19NO — CID 176766940

IUPAC3-(3-methylphenyl)-1-propan-2-ylazetidin-3-ol
SMILESCc1cccc(C2(O)CN(C(C)C)C2)c1
InChIInChI=1S/C13H19NO/c1-10(2)14-8-13(15,9-14)12-6-4-5-11(3)7-12/h4-7,10,15H,8-9H2,1-3H3
InChIKeySLRUPZUYVGVPKE-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.91
Rot. Bonds2

About 3-(3-methylphenyl)-1-propan-2-ylazetidin-3-ol

3-(3-methylphenyl)-1-propan-2-ylazetidin-3-ol (PubChem CID 176766940) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(3-methylphenyl)-1-propan-2-ylazetidin-3-ol.

Molecular Properties

Compound Name3-(3-methylphenyl)-1-propan-2-ylazetidin-3-ol
PubChem CID176766940
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-(3-methylphenyl)-1-propan-2-ylazetidin-3-ol
SMILESCc1cccc(C2(O)CN(C(C)C)C2)c1
InChIInChI=1S/C13H19NO/c1-10(2)14-8-13(15,9-14)12-6-4-5-11(3)7-12/h4-7,10,15H,8-9H2,1-3H3
InChIKeySLRUPZUYVGVPKE-UHFFFAOYSA-N
XLogP1.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-1-propan-2-ylazetidin-3-ol
CID 58547253
3-phenyl-1-propan-2-ylpiperidin-3-ol
CID 12689966
1-ethyl-4-(3-methylphenyl)piperidin-4-ol
CID 60894273
1-(3-methylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449876
3-(3-methylphenyl)oxolan-3-ol
CID 63331929
4,4-dimethoxy-1-(3-methylphenyl)cyclohexan-1-ol
CID 125470767
3-(3-methylphenyl)thian-3-ol
CID 83688253
3-(4-chlorophenyl)-1-[1-(2,4,6-trimethylphenyl)ethyl]azetidin-3-ol
CID 166343252
2-methyl-1-(3-methylphenyl)cyclopropan-1-ol
CID 79332542
3-(3-methylphenyl)-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol
CID 171965040
(3S,4S)-1,4-dimethyl-3-(3-methylphenyl)pyrrolidin-3-ol
CID 125426712
2-methyl-4-(3-methylphenyl)piperidin-4-ol
CID 83819923

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-1-propan-2-ylazetidin-3-ol?
The IUPAC name of 3-(3-methylphenyl)-1-propan-2-ylazetidin-3-ol (CID 176766940) is 3-(3-methylphenyl)-1-propan-2-ylazetidin-3-ol.
What is the SMILES notation for 3-(3-methylphenyl)-1-propan-2-ylazetidin-3-ol?
The canonical SMILES for 3-(3-methylphenyl)-1-propan-2-ylazetidin-3-ol is Cc1cccc(C2(O)CN(C(C)C)C2)c1.
What is the InChIKey of 3-(3-methylphenyl)-1-propan-2-ylazetidin-3-ol?
The InChIKey is SLRUPZUYVGVPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(2)14-8-13(15,9-14)12-6-4-5-11(3)7-12/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of 3-(3-methylphenyl)-1-propan-2-ylazetidin-3-ol?
3-(3-methylphenyl)-1-propan-2-ylazetidin-3-ol has a molecular weight of 205.30 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-1-propan-2-ylazetidin-3-ol is sourced from PubChem (CID 176766940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).