2-[[1-(aminomethyl)cyclopentyl]methyl]phenol

C13H19NO — CID 105458102

IUPAC2-[[1-(aminomethyl)cyclopentyl]methyl]phenol
SMILESNCC1(Cc2ccccc2O)CCCC1
InChIInChI=1S/C13H19NO/c14-10-13(7-3-4-8-13)9-11-5-1-2-6-12(11)15/h1-2,5-6,15H,3-4,7-10,14H2
InChIKeyXTNGVADDYLZUHK-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.45
Rot. Bonds3

About 2-[[1-(aminomethyl)cyclopentyl]methyl]phenol

2-[[1-(aminomethyl)cyclopentyl]methyl]phenol (PubChem CID 105458102) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cyclopentyl]methyl]phenol.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cyclopentyl]methyl]phenol
PubChem CID105458102
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-[[1-(aminomethyl)cyclopentyl]methyl]phenol
SMILESNCC1(Cc2ccccc2O)CCCC1
InChIInChI=1S/C13H19NO/c14-10-13(7-3-4-8-13)9-11-5-1-2-6-12(11)15/h1-2,5-6,15H,3-4,7-10,14H2
InChIKeyXTNGVADDYLZUHK-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cyclopentyl]methyl]phenol?
The IUPAC name of 2-[[1-(aminomethyl)cyclopentyl]methyl]phenol (CID 105458102) is 2-[[1-(aminomethyl)cyclopentyl]methyl]phenol.
What is the SMILES notation for 2-[[1-(aminomethyl)cyclopentyl]methyl]phenol?
The canonical SMILES for 2-[[1-(aminomethyl)cyclopentyl]methyl]phenol is NCC1(Cc2ccccc2O)CCCC1.
What is the InChIKey of 2-[[1-(aminomethyl)cyclopentyl]methyl]phenol?
The InChIKey is XTNGVADDYLZUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c14-10-13(7-3-4-8-13)9-11-5-1-2-6-12(11)15/h1-2,5-6,15H,3-4,7-10,14H2.
What are the key properties of 2-[[1-(aminomethyl)cyclopentyl]methyl]phenol?
2-[[1-(aminomethyl)cyclopentyl]methyl]phenol has a molecular weight of 205.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)cyclopentyl]methyl]phenol is sourced from PubChem (CID 105458102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).