2-[[1-(2-aminoethyl)cyclopropyl]methyl-benzylamino]ethanol

C15H24N2O — CID 65480937

IUPAC2-[[1-(2-aminoethyl)cyclopropyl]methyl-benzylamino]ethanol
SMILESNCCC1(CN(CCO)Cc2ccccc2)CC1
InChIInChI=1S/C15H24N2O/c16-9-8-15(6-7-15)13-17(10-11-18)12-14-4-2-1-3-5-14/h1-5,18H,6-13,16H2
InChIKeySRCPCSHBLODNBR-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.61
Rot. Bonds8

About 2-[[1-(2-aminoethyl)cyclopropyl]methyl-benzylamino]ethanol

2-[[1-(2-aminoethyl)cyclopropyl]methyl-benzylamino]ethanol (PubChem CID 65480937) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[[1-(2-aminoethyl)cyclopropyl]methyl-benzylamino]ethanol.

Molecular Properties

Compound Name2-[[1-(2-aminoethyl)cyclopropyl]methyl-benzylamino]ethanol
PubChem CID65480937
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[[1-(2-aminoethyl)cyclopropyl]methyl-benzylamino]ethanol
SMILESNCCC1(CN(CCO)Cc2ccccc2)CC1
InChIInChI=1S/C15H24N2O/c16-9-8-15(6-7-15)13-17(10-11-18)12-14-4-2-1-3-5-14/h1-5,18H,6-13,16H2
InChIKeySRCPCSHBLODNBR-UHFFFAOYSA-N
XLogP1.61
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-aminoethyl)cyclopropyl]methyl-benzylamino]ethanol?
The IUPAC name of 2-[[1-(2-aminoethyl)cyclopropyl]methyl-benzylamino]ethanol (CID 65480937) is 2-[[1-(2-aminoethyl)cyclopropyl]methyl-benzylamino]ethanol.
What is the SMILES notation for 2-[[1-(2-aminoethyl)cyclopropyl]methyl-benzylamino]ethanol?
The canonical SMILES for 2-[[1-(2-aminoethyl)cyclopropyl]methyl-benzylamino]ethanol is NCCC1(CN(CCO)Cc2ccccc2)CC1.
What is the InChIKey of 2-[[1-(2-aminoethyl)cyclopropyl]methyl-benzylamino]ethanol?
The InChIKey is SRCPCSHBLODNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c16-9-8-15(6-7-15)13-17(10-11-18)12-14-4-2-1-3-5-14/h1-5,18H,6-13,16H2.
What are the key properties of 2-[[1-(2-aminoethyl)cyclopropyl]methyl-benzylamino]ethanol?
2-[[1-(2-aminoethyl)cyclopropyl]methyl-benzylamino]ethanol has a molecular weight of 248.37 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-aminoethyl)cyclopropyl]methyl-benzylamino]ethanol is sourced from PubChem (CID 65480937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).