3-amino-1-(4-methylphenyl)cyclopentan-1-ol

C12H17NO — CID 80562597

IUPAC3-amino-1-(4-methylphenyl)cyclopentan-1-ol
SMILESCc1ccc(C2(O)CCC(N)C2)cc1
InChIInChI=1S/C12H17NO/c1-9-2-4-10(5-3-9)12(14)7-6-11(13)8-12/h2-5,11,14H,6-8,13H2,1H3
InChIKeyCZQNJUUDCKTBRF-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.69
Rot. Bonds1

About 3-amino-1-(4-methylphenyl)cyclopentan-1-ol

3-amino-1-(4-methylphenyl)cyclopentan-1-ol (PubChem CID 80562597) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-amino-1-(4-methylphenyl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-methylphenyl)cyclopentan-1-ol
PubChem CID80562597
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-amino-1-(4-methylphenyl)cyclopentan-1-ol
SMILESCc1ccc(C2(O)CCC(N)C2)cc1
InChIInChI=1S/C12H17NO/c1-9-2-4-10(5-3-9)12(14)7-6-11(13)8-12/h2-5,11,14H,6-8,13H2,1H3
InChIKeyCZQNJUUDCKTBRF-UHFFFAOYSA-N
XLogP1.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-methylphenyl)cyclopentan-1-ol?
The IUPAC name of 3-amino-1-(4-methylphenyl)cyclopentan-1-ol (CID 80562597) is 3-amino-1-(4-methylphenyl)cyclopentan-1-ol.
What is the SMILES notation for 3-amino-1-(4-methylphenyl)cyclopentan-1-ol?
The canonical SMILES for 3-amino-1-(4-methylphenyl)cyclopentan-1-ol is Cc1ccc(C2(O)CCC(N)C2)cc1.
What is the InChIKey of 3-amino-1-(4-methylphenyl)cyclopentan-1-ol?
The InChIKey is CZQNJUUDCKTBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-2-4-10(5-3-9)12(14)7-6-11(13)8-12/h2-5,11,14H,6-8,13H2,1H3.
What are the key properties of 3-amino-1-(4-methylphenyl)cyclopentan-1-ol?
3-amino-1-(4-methylphenyl)cyclopentan-1-ol has a molecular weight of 191.27 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-methylphenyl)cyclopentan-1-ol is sourced from PubChem (CID 80562597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).