N-ethyl-3-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline

C16H26N2O — CID 55073617

IUPACN-ethyl-3-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
SMILESCCN(CC1CCC(CNC)O1)c1cccc(C)c1
InChIInChI=1S/C16H26N2O/c1-4-18(14-7-5-6-13(2)10-14)12-16-9-8-15(19-16)11-17-3/h5-7,10,15-17H,4,8-9,11-12H2,1-3H3
InChIKeyVQVFVBSZXWZRNK-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.59
Rot. Bonds6

About N-ethyl-3-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline

N-ethyl-3-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline (PubChem CID 55073617) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
PubChem CID55073617
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-ethyl-3-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
SMILESCCN(CC1CCC(CNC)O1)c1cccc(C)c1
InChIInChI=1S/C16H26N2O/c1-4-18(14-7-5-6-13(2)10-14)12-16-9-8-15(19-16)11-17-3/h5-7,10,15-17H,4,8-9,11-12H2,1-3H3
InChIKeyVQVFVBSZXWZRNK-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-fluoro-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 55074213
N-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 62425314
N-(cyclopropylmethyl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 61077282
N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-ethyl-3-methylaniline
CID 79867078
4-fluoro-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 62436939
2-[(N-ethyl-3-methylanilino)methyl]cyclohexan-1-one
CID 62614567
N-[(2-amino-5-methylcyclohexyl)methyl]-N-ethyl-3-methylaniline
CID 63495505
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
2-cyclopropyl-3-(N-ethyl-3-methylanilino)-2-(propylamino)propan-1-ol
CID 64825667
N-ethyl-3-methyl-N-(thiomorpholin-3-ylmethyl)aniline
CID 82915842
1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine
CID 62462715
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline?
The IUPAC name of N-ethyl-3-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline (CID 55073617) is N-ethyl-3-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline.
What is the SMILES notation for N-ethyl-3-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline?
The canonical SMILES for N-ethyl-3-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline is CCN(CC1CCC(CNC)O1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-3-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline?
The InChIKey is VQVFVBSZXWZRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-18(14-7-5-6-13(2)10-14)12-16-9-8-15(19-16)11-17-3/h5-7,10,15-17H,4,8-9,11-12H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline?
N-ethyl-3-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline has a molecular weight of 262.40 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline is sourced from PubChem (CID 55073617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).