2-[2-[1-(aminomethyl)cyclopentyl]phenyl]propan-2-ol

C15H23NO — CID 117113245

IUPAC2-[2-[1-(aminomethyl)cyclopentyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1C1(CN)CCCC1
InChIInChI=1S/C15H23NO/c1-14(2,17)12-7-3-4-8-13(12)15(11-16)9-5-6-10-15/h3-4,7-8,17H,5-6,9-11,16H2,1-2H3
InChIKeyIHNDZMALBSOVAJ-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.68
Rot. Bonds3

About 2-[2-[1-(aminomethyl)cyclopentyl]phenyl]propan-2-ol

2-[2-[1-(aminomethyl)cyclopentyl]phenyl]propan-2-ol (PubChem CID 117113245) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[2-[1-(aminomethyl)cyclopentyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[1-(aminomethyl)cyclopentyl]phenyl]propan-2-ol
PubChem CID117113245
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-[2-[1-(aminomethyl)cyclopentyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1C1(CN)CCCC1
InChIInChI=1S/C15H23NO/c1-14(2,17)12-7-3-4-8-13(12)15(11-16)9-5-6-10-15/h3-4,7-8,17H,5-6,9-11,16H2,1-2H3
InChIKeyIHNDZMALBSOVAJ-UHFFFAOYSA-N
XLogP2.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(aminomethyl)cyclopentyl]phenyl]propan-2-ol?
The IUPAC name of 2-[2-[1-(aminomethyl)cyclopentyl]phenyl]propan-2-ol (CID 117113245) is 2-[2-[1-(aminomethyl)cyclopentyl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-[1-(aminomethyl)cyclopentyl]phenyl]propan-2-ol?
The canonical SMILES for 2-[2-[1-(aminomethyl)cyclopentyl]phenyl]propan-2-ol is CC(C)(O)c1ccccc1C1(CN)CCCC1.
What is the InChIKey of 2-[2-[1-(aminomethyl)cyclopentyl]phenyl]propan-2-ol?
The InChIKey is IHNDZMALBSOVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-14(2,17)12-7-3-4-8-13(12)15(11-16)9-5-6-10-15/h3-4,7-8,17H,5-6,9-11,16H2,1-2H3.
What are the key properties of 2-[2-[1-(aminomethyl)cyclopentyl]phenyl]propan-2-ol?
2-[2-[1-(aminomethyl)cyclopentyl]phenyl]propan-2-ol has a molecular weight of 233.36 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(aminomethyl)cyclopentyl]phenyl]propan-2-ol is sourced from PubChem (CID 117113245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).