1-[4-(1-aminocyclobutyl)phenyl]cyclopropan-1-ol

C13H17NO — CID 117112880

IUPAC1-[4-(1-aminocyclobutyl)phenyl]cyclopropan-1-ol
SMILESNC1(c2ccc(C3(O)CC3)cc2)CCC1
InChIInChI=1S/C13H17NO/c14-12(6-1-7-12)10-2-4-11(5-3-10)13(15)8-9-13/h2-5,15H,1,6-9,14H2
InChIKeyPPMZUIRBYJVMBU-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.01
Rot. Bonds2

About 1-[4-(1-aminocyclobutyl)phenyl]cyclopropan-1-ol

1-[4-(1-aminocyclobutyl)phenyl]cyclopropan-1-ol (PubChem CID 117112880) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-[4-(1-aminocyclobutyl)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[4-(1-aminocyclobutyl)phenyl]cyclopropan-1-ol
PubChem CID117112880
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1-[4-(1-aminocyclobutyl)phenyl]cyclopropan-1-ol
SMILESNC1(c2ccc(C3(O)CC3)cc2)CCC1
InChIInChI=1S/C13H17NO/c14-12(6-1-7-12)10-2-4-11(5-3-10)13(15)8-9-13/h2-5,15H,1,6-9,14H2
InChIKeyPPMZUIRBYJVMBU-UHFFFAOYSA-N
XLogP2.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminophenyl)cyclopropan-1-ol
CID 84649311
ethane;1-(4-methylphenyl)cyclobutan-1-amine
CID 169135941
cis-(1R,4S)-1,4-bis(4-fluorophenyl)cycloheptane-1,4-diol
CID 101158460
4-(1-hydroxycyclobutyl)benzaldehyde
CID 156800908
2-[4-(1-aminocyclobutyl)phenyl]ethanol
CID 117112872
1-(4-iodophenyl)cyclopentan-1-amine
CID 117047029
1-(4-propan-2-ylphenyl)cyclobutan-1-amine
CID 43146614
1,4-bis(4-fluorophenyl)cyclohexane-1,4-diol
CID 10709619
4-(1-aminocyclobutyl)benzonitrile;hydrochloride
CID 71742690
1-(4-chlorophenyl)cyclopentan-1-amine;hydrochloride
CID 47002947
1-(4-methylphenyl)cyclopentan-1-amine;hydrochloride
CID 45380293
1-pyridin-4-ylcyclobutan-1-amine;hydrochloride
CID 146013729

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminocyclobutyl)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[4-(1-aminocyclobutyl)phenyl]cyclopropan-1-ol (CID 117112880) is 1-[4-(1-aminocyclobutyl)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[4-(1-aminocyclobutyl)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[4-(1-aminocyclobutyl)phenyl]cyclopropan-1-ol is NC1(c2ccc(C3(O)CC3)cc2)CCC1.
What is the InChIKey of 1-[4-(1-aminocyclobutyl)phenyl]cyclopropan-1-ol?
The InChIKey is PPMZUIRBYJVMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c14-12(6-1-7-12)10-2-4-11(5-3-10)13(15)8-9-13/h2-5,15H,1,6-9,14H2.
What are the key properties of 1-[4-(1-aminocyclobutyl)phenyl]cyclopropan-1-ol?
1-[4-(1-aminocyclobutyl)phenyl]cyclopropan-1-ol has a molecular weight of 203.29 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminocyclobutyl)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 117112880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).