N-ethyl-4-[(2-methoxyethylamino)methyl]-N-(oxolan-2-ylmethyl)aniline

C17H28N2O2 — CID 63060813

IUPACN-ethyl-4-[(2-methoxyethylamino)methyl]-N-(oxolan-2-ylmethyl)aniline
SMILESCCN(CC1CCCO1)c1ccc(CNCCOC)cc1
InChIInChI=1S/C17H28N2O2/c1-3-19(14-17-5-4-11-21-17)16-8-6-15(7-9-16)13-18-10-12-20-2/h6-9,17-18H,3-5,10-14H2,1-2H3
InChIKeyPSZGKFITFIMZHP-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.43
Rot. Bonds9

About N-ethyl-4-[(2-methoxyethylamino)methyl]-N-(oxolan-2-ylmethyl)aniline

N-ethyl-4-[(2-methoxyethylamino)methyl]-N-(oxolan-2-ylmethyl)aniline (PubChem CID 63060813) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-ethyl-4-[(2-methoxyethylamino)methyl]-N-(oxolan-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-ethyl-4-[(2-methoxyethylamino)methyl]-N-(oxolan-2-ylmethyl)aniline
PubChem CID63060813
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-ethyl-4-[(2-methoxyethylamino)methyl]-N-(oxolan-2-ylmethyl)aniline
SMILESCCN(CC1CCCO1)c1ccc(CNCCOC)cc1
InChIInChI=1S/C17H28N2O2/c1-3-19(14-17-5-4-11-21-17)16-8-6-15(7-9-16)13-18-10-12-20-2/h6-9,17-18H,3-5,10-14H2,1-2H3
InChIKeyPSZGKFITFIMZHP-UHFFFAOYSA-N
XLogP2.43
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[(2-methoxyethylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 81147210
4-[(2-methoxyethylamino)methyl]-N,3-dimethyl-N-(oxolan-2-ylmethyl)aniline
CID 63060974
4-(2-aminobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline
CID 63817545
4-[ethyl(oxolan-2-ylmethyl)amino]benzonitrile
CID 61435563
N'-ethyl-N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62574226
1-N-ethyl-3-N-fluoro-4-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-diamine
CID 57108655
N-[4-[(2-methoxyethylamino)methyl]phenyl]-N-methyloxan-4-amine
CID 63058629
N-(cyclopentylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63630737
2-[N-ethyl-4-[(2-methoxyethylamino)methyl]anilino]-N-methylacetamide
CID 63070315
4-(ethylaminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432121
N-ethyl-4-nitro-N-(oxolan-2-ylmethyl)aniline
CID 133274078
N-(cyclobutylmethyl)-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline
CID 107399906

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(2-methoxyethylamino)methyl]-N-(oxolan-2-ylmethyl)aniline?
The IUPAC name of N-ethyl-4-[(2-methoxyethylamino)methyl]-N-(oxolan-2-ylmethyl)aniline (CID 63060813) is N-ethyl-4-[(2-methoxyethylamino)methyl]-N-(oxolan-2-ylmethyl)aniline.
What is the SMILES notation for N-ethyl-4-[(2-methoxyethylamino)methyl]-N-(oxolan-2-ylmethyl)aniline?
The canonical SMILES for N-ethyl-4-[(2-methoxyethylamino)methyl]-N-(oxolan-2-ylmethyl)aniline is CCN(CC1CCCO1)c1ccc(CNCCOC)cc1.
What is the InChIKey of N-ethyl-4-[(2-methoxyethylamino)methyl]-N-(oxolan-2-ylmethyl)aniline?
The InChIKey is PSZGKFITFIMZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-19(14-17-5-4-11-21-17)16-8-6-15(7-9-16)13-18-10-12-20-2/h6-9,17-18H,3-5,10-14H2,1-2H3.
What are the key properties of N-ethyl-4-[(2-methoxyethylamino)methyl]-N-(oxolan-2-ylmethyl)aniline?
N-ethyl-4-[(2-methoxyethylamino)methyl]-N-(oxolan-2-ylmethyl)aniline has a molecular weight of 292.42 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(2-methoxyethylamino)methyl]-N-(oxolan-2-ylmethyl)aniline is sourced from PubChem (CID 63060813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).