N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-2-phenylethanamine

C17H28N2O — CID 65486176

IUPACN-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-2-phenylethanamine
SMILESCCNCC1CCC(CN(C)CCc2ccccc2)O1
InChIInChI=1S/C17H28N2O/c1-3-18-13-16-9-10-17(20-16)14-19(2)12-11-15-7-5-4-6-8-15/h4-8,16-18H,3,9-14H2,1-2H3
InChIKeyFNKKRJNXMVEMLW-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.32
Rot. Bonds8

About N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-2-phenylethanamine

N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-2-phenylethanamine (PubChem CID 65486176) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-2-phenylethanamine.

Molecular Properties

Compound NameN-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-2-phenylethanamine
PubChem CID65486176
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-2-phenylethanamine
SMILESCCNCC1CCC(CN(C)CCc2ccccc2)O1
InChIInChI=1S/C17H28N2O/c1-3-18-13-16-9-10-17(20-16)14-19(2)12-11-15-7-5-4-6-8-15/h4-8,16-18H,3,9-14H2,1-2H3
InChIKeyFNKKRJNXMVEMLW-UHFFFAOYSA-N
XLogP2.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N,2-dimethylaniline
CID 55072223
N-butyl-N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]aniline
CID 64584279
N-[[5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62426370
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81067383
N-[[(2S,5S)-5-(ethylaminomethyl)oxolan-2-yl]methyl]ethanamine
CID 124854325
N-[[5-[[benzyl(ethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62419666
N-[[5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62419597
4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-one
CID 115240273
N-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]pentan-1-amine
CID 55074744
N-[[5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62413670
3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine
CID 103060387
N-(cyclopropylmethyl)-N-methyl-3-phenylpropan-1-amine
CID 54365066

Frequently Asked Questions

What is the IUPAC name of N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-2-phenylethanamine?
The IUPAC name of N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-2-phenylethanamine (CID 65486176) is N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-2-phenylethanamine.
What is the SMILES notation for N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-2-phenylethanamine?
The canonical SMILES for N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-2-phenylethanamine is CCNCC1CCC(CN(C)CCc2ccccc2)O1.
What is the InChIKey of N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-2-phenylethanamine?
The InChIKey is FNKKRJNXMVEMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-18-13-16-9-10-17(20-16)14-19(2)12-11-15-7-5-4-6-8-15/h4-8,16-18H,3,9-14H2,1-2H3.
What are the key properties of N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-2-phenylethanamine?
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-2-phenylethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-2-phenylethanamine is sourced from PubChem (CID 65486176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).