[1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol

C16H24N2O — CID 79478327

IUPAC[1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol
SMILESOCC1(CNCc2ccccc2N2CCCC2)CC1
InChIInChI=1S/C16H24N2O/c19-13-16(7-8-16)12-17-11-14-5-1-2-6-15(14)18-9-3-4-10-18/h1-2,5-6,17,19H,3-4,7-13H2
InChIKeyLISCBXMKUOCQHP-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.15
Rot. Bonds6

About [1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol

[1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol (PubChem CID 79478327) 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]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol
PubChem CID79478327
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name[1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol
SMILESOCC1(CNCc2ccccc2N2CCCC2)CC1
InChIInChI=1S/C16H24N2O/c19-13-16(7-8-16)12-17-11-14-5-1-2-6-15(14)18-9-3-4-10-18/h1-2,5-6,17,19H,3-4,7-13H2
InChIKeyLISCBXMKUOCQHP-UHFFFAOYSA-N
XLogP2.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.15
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]cyclopropyl]methanol?
The IUPAC name of [1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol (CID 79478327) is [1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol is OCC1(CNCc2ccccc2N2CCCC2)CC1.
What is the InChIKey of [1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol?
The InChIKey is LISCBXMKUOCQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c19-13-16(7-8-16)12-17-11-14-5-1-2-6-15(14)18-9-3-4-10-18/h1-2,5-6,17,19H,3-4,7-13H2.
What are the key properties of [1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol?
[1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol has a molecular weight of 260.38 g/mol, XLogP of 2.15, 6 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]cyclopropyl]methanol is sourced from PubChem (CID 79478327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).