1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclobutan-1-ol

C16H24N2O — CID 115621560

IUPAC1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclobutan-1-ol
SMILESOC1(CNCc2ccccc2N2CCCC2)CCC1
InChIInChI=1S/C16H24N2O/c19-16(8-5-9-16)13-17-12-14-6-1-2-7-15(14)18-10-3-4-11-18/h1-2,6-7,17,19H,3-5,8-13H2
InChIKeyHKRCVSUUZMSBSA-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.29
Rot. Bonds5

About 1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclobutan-1-ol

1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclobutan-1-ol (PubChem CID 115621560) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclobutan-1-ol
PubChem CID115621560
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclobutan-1-ol
SMILESOC1(CNCc2ccccc2N2CCCC2)CCC1
InChIInChI=1S/C16H24N2O/c19-16(8-5-9-16)13-17-12-14-6-1-2-7-15(14)18-10-3-4-11-18/h1-2,6-7,17,19H,3-5,8-13H2
InChIKeyHKRCVSUUZMSBSA-UHFFFAOYSA-N
XLogP2.29
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclobutan-1-ol (CID 115621560) is 1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclobutan-1-ol is OC1(CNCc2ccccc2N2CCCC2)CCC1.
What is the InChIKey of 1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclobutan-1-ol?
The InChIKey is HKRCVSUUZMSBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c19-16(8-5-9-16)13-17-12-14-6-1-2-7-15(14)18-10-3-4-11-18/h1-2,6-7,17,19H,3-5,8-13H2.
What are the key properties of 1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclobutan-1-ol?
1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclobutan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 115621560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).