4-ethyl-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline

C16H26N2O — CID 62435116

IUPAC4-ethyl-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
SMILESCCc1ccc(N(C)CC2CCC(CNC)O2)cc1
InChIInChI=1S/C16H26N2O/c1-4-13-5-7-14(8-6-13)18(3)12-16-10-9-15(19-16)11-17-2/h5-8,15-17H,4,9-12H2,1-3H3
InChIKeyBFNPXHAGHIVHHU-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.45
Rot. Bonds6

About 4-ethyl-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline

4-ethyl-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline (PubChem CID 62435116) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-ethyl-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline.

Molecular Properties

Compound Name4-ethyl-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
PubChem CID62435116
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-ethyl-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
SMILESCCc1ccc(N(C)CC2CCC(CNC)O2)cc1
InChIInChI=1S/C16H26N2O/c1-4-13-5-7-14(8-6-13)18(3)12-16-10-9-15(19-16)11-17-2/h5-8,15-17H,4,9-12H2,1-3H3
InChIKeyBFNPXHAGHIVHHU-UHFFFAOYSA-N
XLogP2.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 62436939
4-fluoro-N-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]aniline
CID 62437113
1-[5-[(dimethylamino)methyl]oxolan-2-yl]-N-methylmethanamine
CID 62419753
N-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]aniline
CID 55070066
N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-methylaniline
CID 62440143
N-ethyl-3-fluoro-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 55074213
N-ethyl-3-[(4-ethyl-N-methylanilino)methyl]oxan-4-amine
CID 103059424
N-ethyl-3-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 55073617
4-ethyl-N-methyl-N-(piperidin-4-ylmethyl)aniline
CID 62002097
N-methyl-1-[5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolan-2-yl]methanamine
CID 62422461
N-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 62425314
1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine
CID 62462715

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline?
The IUPAC name of 4-ethyl-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline (CID 62435116) is 4-ethyl-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline.
What is the SMILES notation for 4-ethyl-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline?
The canonical SMILES for 4-ethyl-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline is CCc1ccc(N(C)CC2CCC(CNC)O2)cc1.
What is the InChIKey of 4-ethyl-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline?
The InChIKey is BFNPXHAGHIVHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-13-5-7-14(8-6-13)18(3)12-16-10-9-15(19-16)11-17-2/h5-8,15-17H,4,9-12H2,1-3H3.
What are the key properties of 4-ethyl-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline?
4-ethyl-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline has a molecular weight of 262.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline is sourced from PubChem (CID 62435116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).