N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methylaniline

C17H28N2O — CID 62257422

IUPACN-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methylaniline
SMILESCCNCC1(CN(CC)c2cccc(C)c2)CCOC1
InChIInChI=1S/C17H28N2O/c1-4-18-12-17(9-10-20-14-17)13-19(5-2)16-8-6-7-15(3)11-16/h6-8,11,18H,4-5,9-10,12-14H2,1-3H3
InChIKeyGLKANZNWROIKRW-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.84
Rot. Bonds7

About N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methylaniline

N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methylaniline (PubChem CID 62257422) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methylaniline.

Molecular Properties

Compound NameN-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methylaniline
PubChem CID62257422
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methylaniline
SMILESCCNCC1(CN(CC)c2cccc(C)c2)CCOC1
InChIInChI=1S/C17H28N2O/c1-4-18-12-17(9-10-20-14-17)13-19(5-2)16-8-6-7-15(3)11-16/h6-8,11,18H,4-5,9-10,12-14H2,1-3H3
InChIKeyGLKANZNWROIKRW-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoroaniline
CID 62258149
N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]aniline
CID 62263802
3-[(N-ethyl-3-methylanilino)methyl]oxolane-3-carbaldehyde
CID 62276787
N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline
CID 62259743
4-[(N-ethyl-3-methylanilino)methyl]oxane-4-carbaldehyde
CID 55066183
N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,3-dimethylaniline
CID 62259574
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoro-N-methylaniline
CID 55056002
[3-[(N-ethyl-3-fluoroanilino)methyl]oxan-3-yl]methanol
CID 63745907
N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62719920
N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62262002
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylcyclopropanamine
CID 62262540
1-[(N-ethyl-3-methylanilino)methyl]cyclopentane-1-carbaldehyde
CID 62276974

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methylaniline?
The IUPAC name of N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methylaniline (CID 62257422) is N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methylaniline.
What is the SMILES notation for N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methylaniline?
The canonical SMILES for N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methylaniline is CCNCC1(CN(CC)c2cccc(C)c2)CCOC1.
What is the InChIKey of N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methylaniline?
The InChIKey is GLKANZNWROIKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-18-12-17(9-10-20-14-17)13-19(5-2)16-8-6-7-15(3)11-16/h6-8,11,18H,4-5,9-10,12-14H2,1-3H3.
What are the key properties of N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methylaniline?
N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methylaniline has a molecular weight of 276.42 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methylaniline is sourced from PubChem (CID 62257422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).