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

C15H25ClN2O — CID 114847405

IUPACN-butyl-4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylaniline
SMILESCCCCN(C)c1ccc(Cl)cc1CNCCOC
InChIInChI=1S/C15H25ClN2O/c1-4-5-9-18(2)15-7-6-14(16)11-13(15)12-17-8-10-19-3/h6-7,11,17H,4-5,8-10,12H2,1-3H3
InChIKeyFRCIFKSWPXZTOB-UHFFFAOYSA-N
MW284.83 g/mol
LogP3.31
Rot. Bonds9

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

N-butyl-4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylaniline (PubChem CID 114847405) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is N-butyl-4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylaniline.

Molecular Properties

Compound NameN-butyl-4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylaniline
PubChem CID114847405
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC NameN-butyl-4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylaniline
SMILESCCCCN(C)c1ccc(Cl)cc1CNCCOC
InChIInChI=1S/C15H25ClN2O/c1-4-5-9-18(2)15-7-6-14(16)11-13(15)12-17-8-10-19-3/h6-7,11,17H,4-5,8-10,12H2,1-3H3
InChIKeyFRCIFKSWPXZTOB-UHFFFAOYSA-N
XLogP3.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2-ethoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 114852817
4-chloro-N-(2,2-dimethylpropyl)-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 114850376
4-chloro-N-(3-methoxypropyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 114850889
2-[4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]acetamide
CID 114848156
2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]ethanol
CID 114848634
2-[N-butyl-5-chloro-2-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 114849250
4-chloro-N-(2-methoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline
CID 114853037
4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline
CID 114848022
N-butyl-4-chloro-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 114847398
N-butyl-4-[(2-methoxyethylamino)methyl]-N,3-dimethylaniline
CID 63060156
N'-[2-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699734
2-[2-[(2-methoxyethylamino)methyl]-N,4-dimethylanilino]ethanol
CID 114055007

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylaniline?
The IUPAC name of N-butyl-4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylaniline (CID 114847405) is N-butyl-4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylaniline.
What is the SMILES notation for N-butyl-4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylaniline?
The canonical SMILES for N-butyl-4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylaniline is CCCCN(C)c1ccc(Cl)cc1CNCCOC.
What is the InChIKey of N-butyl-4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylaniline?
The InChIKey is FRCIFKSWPXZTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-4-5-9-18(2)15-7-6-14(16)11-13(15)12-17-8-10-19-3/h6-7,11,17H,4-5,8-10,12H2,1-3H3.
What are the key properties of N-butyl-4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylaniline?
N-butyl-4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylaniline has a molecular weight of 284.83 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylaniline is sourced from PubChem (CID 114847405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).