3-amino-1-(3-propylphenyl)cyclobutan-1-ol

C13H19NO — CID 116542728

IUPAC3-amino-1-(3-propylphenyl)cyclobutan-1-ol
SMILESCCCc1cccc(C2(O)CC(N)C2)c1
InChIInChI=1S/C13H19NO/c1-2-4-10-5-3-6-11(7-10)13(15)8-12(14)9-13/h3,5-7,12,15H,2,4,8-9,14H2,1H3
InChIKeyKJDIQZQFVKMRQA-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.95
Rot. Bonds3

About 3-amino-1-(3-propylphenyl)cyclobutan-1-ol

3-amino-1-(3-propylphenyl)cyclobutan-1-ol (PubChem CID 116542728) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-amino-1-(3-propylphenyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-propylphenyl)cyclobutan-1-ol
PubChem CID116542728
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-amino-1-(3-propylphenyl)cyclobutan-1-ol
SMILESCCCc1cccc(C2(O)CC(N)C2)c1
InChIInChI=1S/C13H19NO/c1-2-4-10-5-3-6-11(7-10)13(15)8-12(14)9-13/h3,5-7,12,15H,2,4,8-9,14H2,1H3
InChIKeyKJDIQZQFVKMRQA-UHFFFAOYSA-N
XLogP1.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-(3-propylphenyl)cyclohexan-1-ol
CID 116542251
4-(propylamino)-1-(3-propylphenyl)cyclohexan-1-ol
CID 116546270
3,3-dimethyl-1-(3-propylphenyl)cyclohexan-1-ol
CID 116542580
2-methyl-1-(3-propylphenyl)cyclopentan-1-ol
CID 116542607
4-propan-2-yl-1-(3-propylphenyl)cyclohexan-1-amine
CID 116542991
4,4-dimethyl-1-(3-propylphenyl)cycloheptan-1-amine
CID 116543030
3-(3-ethylphenyl)-3-methylcyclopentan-1-amine
CID 116538959
2-(3-propylphenyl)cyclobutan-1-amine
CID 116546379
(1-phenylcyclopropyl)-(3-propylphenyl)methanone
CID 116543203
benzyl 3-(3-ethylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171958647
1-[3-(fluoromethyl)phenyl]cyclopropan-1-ol
CID 117276391
2-amino-1-(3-propylphenyl)ethanone
CID 116548428

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-propylphenyl)cyclobutan-1-ol?
The IUPAC name of 3-amino-1-(3-propylphenyl)cyclobutan-1-ol (CID 116542728) is 3-amino-1-(3-propylphenyl)cyclobutan-1-ol.
What is the SMILES notation for 3-amino-1-(3-propylphenyl)cyclobutan-1-ol?
The canonical SMILES for 3-amino-1-(3-propylphenyl)cyclobutan-1-ol is CCCc1cccc(C2(O)CC(N)C2)c1.
What is the InChIKey of 3-amino-1-(3-propylphenyl)cyclobutan-1-ol?
The InChIKey is KJDIQZQFVKMRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-4-10-5-3-6-11(7-10)13(15)8-12(14)9-13/h3,5-7,12,15H,2,4,8-9,14H2,1H3.
What are the key properties of 3-amino-1-(3-propylphenyl)cyclobutan-1-ol?
3-amino-1-(3-propylphenyl)cyclobutan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-propylphenyl)cyclobutan-1-ol is sourced from PubChem (CID 116542728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).