4-[4-(1-aminocyclopropyl)phenyl]butan-2-ol

C13H19NO — CID 117112400

IUPAC4-[4-(1-aminocyclopropyl)phenyl]butan-2-ol
SMILESCC(O)CCc1ccc(C2(N)CC2)cc1
InChIInChI=1S/C13H19NO/c1-10(15)2-3-11-4-6-12(7-5-11)13(14)8-9-13/h4-7,10,15H,2-3,8-9,14H2,1H3
InChIKeyUYCBUTJCJNJTFZ-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.95
Rot. Bonds4

About 4-[4-(1-aminocyclopropyl)phenyl]butan-2-ol

4-[4-(1-aminocyclopropyl)phenyl]butan-2-ol (PubChem CID 117112400) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-[4-(1-aminocyclopropyl)phenyl]butan-2-ol.

Molecular Properties

Compound Name4-[4-(1-aminocyclopropyl)phenyl]butan-2-ol
PubChem CID117112400
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-[4-(1-aminocyclopropyl)phenyl]butan-2-ol
SMILESCC(O)CCc1ccc(C2(N)CC2)cc1
InChIInChI=1S/C13H19NO/c1-10(15)2-3-11-4-6-12(7-5-11)13(14)8-9-13/h4-7,10,15H,2-3,8-9,14H2,1H3
InChIKeyUYCBUTJCJNJTFZ-UHFFFAOYSA-N
XLogP1.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

1-(4-propylphenyl)cyclopropan-1-amine
CID 82280519
4-[4-(1-isocyanatocyclopentyl)phenyl]butan-2-ol
CID 117112635
2-[4-(1-aminocyclobutyl)phenyl]ethanol
CID 117112872
1-[4-(aminomethyl)phenyl]cyclopropan-1-amine
CID 55270414
3-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide
CID 115055951
methyl 3-[4-(1-aminocyclopropyl)phenyl]-2-methylpropanoate
CID 115039582
1-[4-(3-hydroxybutyl)phenyl]propan-2-one
CID 117114950
1-[[4-(3-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol
CID 65213368
4-(3-hydroxybutyl)benzonitrile
CID 115110861
ethyl 4-(3-hydroxybutyl)benzoate
CID 71663434
molecular hydrogen;propane;1-[4-(1-propan-2-ylcyclopropyl)phenyl]cyclopropan-1-amine
CID 144873811
1-(4-ethylphenyl)cycloheptan-1-amine
CID 62544052

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-aminocyclopropyl)phenyl]butan-2-ol?
The IUPAC name of 4-[4-(1-aminocyclopropyl)phenyl]butan-2-ol (CID 117112400) is 4-[4-(1-aminocyclopropyl)phenyl]butan-2-ol.
What is the SMILES notation for 4-[4-(1-aminocyclopropyl)phenyl]butan-2-ol?
The canonical SMILES for 4-[4-(1-aminocyclopropyl)phenyl]butan-2-ol is CC(O)CCc1ccc(C2(N)CC2)cc1.
What is the InChIKey of 4-[4-(1-aminocyclopropyl)phenyl]butan-2-ol?
The InChIKey is UYCBUTJCJNJTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(15)2-3-11-4-6-12(7-5-11)13(14)8-9-13/h4-7,10,15H,2-3,8-9,14H2,1H3.
What are the key properties of 4-[4-(1-aminocyclopropyl)phenyl]butan-2-ol?
4-[4-(1-aminocyclopropyl)phenyl]butan-2-ol has a molecular weight of 205.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-aminocyclopropyl)phenyl]butan-2-ol is sourced from PubChem (CID 117112400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).