4-chloro-N-(2-ethoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-methylaniline

C15H25ClN2O2 — CID 114852817

IUPAC4-chloro-N-(2-ethoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-methylaniline
SMILESCCOCCN(C)c1ccc(Cl)cc1CNCCOC
InChIInChI=1S/C15H25ClN2O2/c1-4-20-10-8-18(2)15-6-5-14(16)11-13(15)12-17-7-9-19-3/h5-6,11,17H,4,7-10,12H2,1-3H3
InChIKeyVPCZCNZSUIYYKK-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.55
Rot. Bonds10

About 4-chloro-N-(2-ethoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-methylaniline

4-chloro-N-(2-ethoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-methylaniline (PubChem CID 114852817) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 4-chloro-N-(2-ethoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-chloro-N-(2-ethoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-methylaniline
PubChem CID114852817
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name4-chloro-N-(2-ethoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-methylaniline
SMILESCCOCCN(C)c1ccc(Cl)cc1CNCCOC
InChIInChI=1S/C15H25ClN2O2/c1-4-20-10-8-18(2)15-6-5-14(16)11-13(15)12-17-7-9-19-3/h5-6,11,17H,4,7-10,12H2,1-3H3
InChIKeyVPCZCNZSUIYYKK-UHFFFAOYSA-N
XLogP2.55
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 114847405
4-chloro-N-(2,2-dimethylpropyl)-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 114850376
5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 114851380
2-[4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]acetamide
CID 114848156
2-(bromomethyl)-4-chloro-N-(2-ethoxyethyl)-N-methylaniline
CID 107084755
N-(2-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline
CID 81056925
4-chloro-N-(2-methoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline
CID 114853037
4-chloro-N-(3-methoxypropyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 114850889
N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine
CID 66161623
2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]ethanol
CID 114848634
4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline
CID 114848022
2-[2-[(2-methoxyethylamino)methyl]-N,4-dimethylanilino]ethanol
CID 114055007

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-ethoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-methylaniline?
The IUPAC name of 4-chloro-N-(2-ethoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-methylaniline (CID 114852817) is 4-chloro-N-(2-ethoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-methylaniline.
What is the SMILES notation for 4-chloro-N-(2-ethoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-methylaniline?
The canonical SMILES for 4-chloro-N-(2-ethoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-methylaniline is CCOCCN(C)c1ccc(Cl)cc1CNCCOC.
What is the InChIKey of 4-chloro-N-(2-ethoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-methylaniline?
The InChIKey is VPCZCNZSUIYYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O2/c1-4-20-10-8-18(2)15-6-5-14(16)11-13(15)12-17-7-9-19-3/h5-6,11,17H,4,7-10,12H2,1-3H3.
What are the key properties of 4-chloro-N-(2-ethoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-methylaniline?
4-chloro-N-(2-ethoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-methylaniline has a molecular weight of 300.83 g/mol, XLogP of 2.55, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-ethoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-methylaniline is sourced from PubChem (CID 114852817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).