N,N-diethyl-4-[(2-methoxyethoxyamino)methyl]aniline

C14H24N2O2 — CID 82714297

IUPACN,N-diethyl-4-[(2-methoxyethoxyamino)methyl]aniline
SMILESCCN(CC)c1ccc(CNOCCOC)cc1
InChIInChI=1S/C14H24N2O2/c1-4-16(5-2)14-8-6-13(7-9-14)12-15-18-11-10-17-3/h6-9,15H,4-5,10-12H2,1-3H3
InChIKeyPXXRQXHTYZTHLP-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.20
Rot. Bonds9

About N,N-diethyl-4-[(2-methoxyethoxyamino)methyl]aniline

N,N-diethyl-4-[(2-methoxyethoxyamino)methyl]aniline (PubChem CID 82714297) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N,N-diethyl-4-[(2-methoxyethoxyamino)methyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[(2-methoxyethoxyamino)methyl]aniline
PubChem CID82714297
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN,N-diethyl-4-[(2-methoxyethoxyamino)methyl]aniline
SMILESCCN(CC)c1ccc(CNOCCOC)cc1
InChIInChI=1S/C14H24N2O2/c1-4-16(5-2)14-8-6-13(7-9-14)12-15-18-11-10-17-3/h6-9,15H,4-5,10-12H2,1-3H3
InChIKeyPXXRQXHTYZTHLP-UHFFFAOYSA-N
XLogP2.20
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethoxy)-1-[4-(methoxymethyl)phenyl]methanamine
CID 82710687
N-[4-[(2-methoxyethoxyamino)methyl]phenyl]acetamide
CID 82711615
N,N-diethyl-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline
CID 103802259
N,N-diethyl-4-[[(2-methylpropan-2-yl)oxyamino]methyl]aniline
CID 82720600
N-[[4-(diethylamino)phenyl]methyl]-2-methoxyacetamide
CID 99839723
2-[N-ethyl-4-[(2-methoxyethylamino)methyl]anilino]-N-methylacetamide
CID 63070315
4-[(3-ethoxypropylamino)methyl]-N,N-diethylaniline
CID 4719418
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
4-[(tert-butylamino)methyl]-N,N-diethylaniline
CID 4719207
N-(2-methoxyethoxy)-1-(4-pyrazol-1-ylphenyl)methanamine
CID 82714540
N-[[4-(diethylamino)phenyl]methyl]-2-phenylacetamide
CID 99839692
4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline
CID 57112514

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(2-methoxyethoxyamino)methyl]aniline?
The IUPAC name of N,N-diethyl-4-[(2-methoxyethoxyamino)methyl]aniline (CID 82714297) is N,N-diethyl-4-[(2-methoxyethoxyamino)methyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[(2-methoxyethoxyamino)methyl]aniline?
The canonical SMILES for N,N-diethyl-4-[(2-methoxyethoxyamino)methyl]aniline is CCN(CC)c1ccc(CNOCCOC)cc1.
What is the InChIKey of N,N-diethyl-4-[(2-methoxyethoxyamino)methyl]aniline?
The InChIKey is PXXRQXHTYZTHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-16(5-2)14-8-6-13(7-9-14)12-15-18-11-10-17-3/h6-9,15H,4-5,10-12H2,1-3H3.
What are the key properties of N,N-diethyl-4-[(2-methoxyethoxyamino)methyl]aniline?
N,N-diethyl-4-[(2-methoxyethoxyamino)methyl]aniline has a molecular weight of 252.36 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(2-methoxyethoxyamino)methyl]aniline is sourced from PubChem (CID 82714297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).