2-(2-aminoethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline

C14H22N2O — CID 63787027

IUPAC2-(2-aminoethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline
SMILESCN(CC1CCCO1)c1ccccc1CCN
InChIInChI=1S/C14H22N2O/c1-16(11-13-6-4-10-17-13)14-7-3-2-5-12(14)8-9-15/h2-3,5,7,13H,4,6,8-11,15H2,1H3
InChIKeyIDEYQNVRUQNMLI-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.80
Rot. Bonds5

About 2-(2-aminoethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline

2-(2-aminoethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline (PubChem CID 63787027) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline
PubChem CID63787027
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(2-aminoethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline
SMILESCN(CC1CCCO1)c1ccccc1CCN
InChIInChI=1S/C14H22N2O/c1-16(11-13-6-4-10-17-13)14-7-3-2-5-12(14)8-9-15/h2-3,5,7,13H,4,6,8-11,15H2,1H3
InChIKeyIDEYQNVRUQNMLI-UHFFFAOYSA-N
XLogP1.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline
CID 55234846
N-methyl-2-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline
CID 61431971
2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432443
2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 61431770
2-[(tert-butylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 63059546
4-(2-aminoethyl)-2-chloro-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 81165783
2-(aminomethyl)-N,6-dimethyl-N-(oxan-2-ylmethyl)aniline
CID 107105586
3-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]benzene-1,2-dicarbonitrile
CID 124889480
[5-methyl-2-[methyl(oxolan-2-ylmethyl)amino]phenyl]methanol
CID 114054435
N'-[(2-methylphenyl)methyl]-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 112501596
2-(aminomethyl)-5-methoxy-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 81298982
2-(2-aminobutyl)-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114861239

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline?
The IUPAC name of 2-(2-aminoethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline (CID 63787027) is 2-(2-aminoethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline.
What is the SMILES notation for 2-(2-aminoethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline?
The canonical SMILES for 2-(2-aminoethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline is CN(CC1CCCO1)c1ccccc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline?
The InChIKey is IDEYQNVRUQNMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16(11-13-6-4-10-17-13)14-7-3-2-5-12(14)8-9-15/h2-3,5,7,13H,4,6,8-11,15H2,1H3.
What are the key properties of 2-(2-aminoethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline?
2-(2-aminoethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline has a molecular weight of 234.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline is sourced from PubChem (CID 63787027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).