2-[1-(aminomethyl)cyclopentyl]-4-pyrrolidin-1-ylphenol

C16H24N2O — CID 117405590

IUPAC2-[1-(aminomethyl)cyclopentyl]-4-pyrrolidin-1-ylphenol
SMILESNCC1(c2cc(N3CCCC3)ccc2O)CCCC1
InChIInChI=1S/C16H24N2O/c17-12-16(7-1-2-8-16)14-11-13(5-6-15(14)19)18-9-3-4-10-18/h5-6,11,19H,1-4,7-10,12,17H2
InChIKeyXBNPHQUQOFKJJW-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.76
Rot. Bonds3

About 2-[1-(aminomethyl)cyclopentyl]-4-pyrrolidin-1-ylphenol

2-[1-(aminomethyl)cyclopentyl]-4-pyrrolidin-1-ylphenol (PubChem CID 117405590) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopentyl]-4-pyrrolidin-1-ylphenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopentyl]-4-pyrrolidin-1-ylphenol
PubChem CID117405590
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[1-(aminomethyl)cyclopentyl]-4-pyrrolidin-1-ylphenol
SMILESNCC1(c2cc(N3CCCC3)ccc2O)CCCC1
InChIInChI=1S/C16H24N2O/c17-12-16(7-1-2-8-16)14-11-13(5-6-15(14)19)18-9-3-4-10-18/h5-6,11,19H,1-4,7-10,12,17H2
InChIKeyXBNPHQUQOFKJJW-UHFFFAOYSA-N
XLogP2.76
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-pyrrolidin-1-ylphenyl)cyclohexyl]methanamine
CID 117400102
2-[1-(aminomethyl)cyclopentyl]-4-fluorophenol
CID 82612123
2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol
CID 131368937
2-[1-(aminomethyl)cyclohexyl]-4-methylphenol
CID 82615959
2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol
CID 117316086
2-(1-isocyanatocyclopentyl)-4-pyrrolidin-1-ylphenol
CID 117433843
2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol
CID 84791404
2-[1-(aminomethyl)cyclopentyl]-4-nitrophenol
CID 117344881
[1-(4-fluoro-2-pyrrolidin-1-ylphenyl)cyclopentyl]methanamine
CID 117113346
2-[1-(aminomethyl)cyclobutyl]-4-(difluoromethyl)phenol
CID 117326698
2-[1-(aminomethyl)cyclopentyl]-5-chlorophenol
CID 131279076
2-(1-isocyanatocyclobutyl)-4-pyrrolidin-1-ylphenol
CID 117399515

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-4-pyrrolidin-1-ylphenol?
The IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-4-pyrrolidin-1-ylphenol (CID 117405590) is 2-[1-(aminomethyl)cyclopentyl]-4-pyrrolidin-1-ylphenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopentyl]-4-pyrrolidin-1-ylphenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclopentyl]-4-pyrrolidin-1-ylphenol is NCC1(c2cc(N3CCCC3)ccc2O)CCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclopentyl]-4-pyrrolidin-1-ylphenol?
The InChIKey is XBNPHQUQOFKJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c17-12-16(7-1-2-8-16)14-11-13(5-6-15(14)19)18-9-3-4-10-18/h5-6,11,19H,1-4,7-10,12,17H2.
What are the key properties of 2-[1-(aminomethyl)cyclopentyl]-4-pyrrolidin-1-ylphenol?
2-[1-(aminomethyl)cyclopentyl]-4-pyrrolidin-1-ylphenol has a molecular weight of 260.38 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclopentyl]-4-pyrrolidin-1-ylphenol is sourced from PubChem (CID 117405590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).