4-N-[1-(2-chlorophenyl)ethyl]-2-ethoxy-4-N-methylbenzene-1,4-diamine

C17H21ClN2O — CID 63677772

IUPAC4-N-[1-(2-chlorophenyl)ethyl]-2-ethoxy-4-N-methylbenzene-1,4-diamine
SMILESCCOc1cc(N(C)C(C)c2ccccc2Cl)ccc1N
InChIInChI=1S/C17H21ClN2O/c1-4-21-17-11-13(9-10-16(17)19)20(3)12(2)14-7-5-6-8-15(14)18/h5-12H,4,19H2,1-3H3
InChIKeyFLLPHWNGEOBFSX-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.52
Rot. Bonds5

About 4-N-[1-(2-chlorophenyl)ethyl]-2-ethoxy-4-N-methylbenzene-1,4-diamine

4-N-[1-(2-chlorophenyl)ethyl]-2-ethoxy-4-N-methylbenzene-1,4-diamine (PubChem CID 63677772) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 4-N-[1-(2-chlorophenyl)ethyl]-2-ethoxy-4-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(2-chlorophenyl)ethyl]-2-ethoxy-4-N-methylbenzene-1,4-diamine
PubChem CID63677772
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name4-N-[1-(2-chlorophenyl)ethyl]-2-ethoxy-4-N-methylbenzene-1,4-diamine
SMILESCCOc1cc(N(C)C(C)c2ccccc2Cl)ccc1N
InChIInChI=1S/C17H21ClN2O/c1-4-21-17-11-13(9-10-16(17)19)20(3)12(2)14-7-5-6-8-15(14)18/h5-12H,4,19H2,1-3H3
InChIKeyFLLPHWNGEOBFSX-UHFFFAOYSA-N
XLogP4.52
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 63675312
4-N-(3,3-dimethylbutan-2-yl)-2-ethoxy-4-N-methylbenzene-1,4-diamine
CID 63677519
2-amino-5-[1-(2-chlorophenyl)ethyl-methylamino]benzoic acid
CID 62979439
3-(4-amino-3-ethoxy-N-methylanilino)butanenitrile
CID 55232164
4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine
CID 63669956
2-ethoxy-4-N,4-N-bis(2-methylpropyl)benzene-1,4-diamine
CID 63670487
4-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline
CID 78935522
4-[(1S)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline
CID 63369336
4-chloro-1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine
CID 55141046
6-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine
CID 83122536
4-[(2-chlorophenyl)methoxy]-2-ethoxyaniline
CID 63676329
2-ethoxy-4-N-[(2-fluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 63672171

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2-chlorophenyl)ethyl]-2-ethoxy-4-N-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-[1-(2-chlorophenyl)ethyl]-2-ethoxy-4-N-methylbenzene-1,4-diamine (CID 63677772) is 4-N-[1-(2-chlorophenyl)ethyl]-2-ethoxy-4-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[1-(2-chlorophenyl)ethyl]-2-ethoxy-4-N-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[1-(2-chlorophenyl)ethyl]-2-ethoxy-4-N-methylbenzene-1,4-diamine is CCOc1cc(N(C)C(C)c2ccccc2Cl)ccc1N.
What is the InChIKey of 4-N-[1-(2-chlorophenyl)ethyl]-2-ethoxy-4-N-methylbenzene-1,4-diamine?
The InChIKey is FLLPHWNGEOBFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-4-21-17-11-13(9-10-16(17)19)20(3)12(2)14-7-5-6-8-15(14)18/h5-12H,4,19H2,1-3H3.
What are the key properties of 4-N-[1-(2-chlorophenyl)ethyl]-2-ethoxy-4-N-methylbenzene-1,4-diamine?
4-N-[1-(2-chlorophenyl)ethyl]-2-ethoxy-4-N-methylbenzene-1,4-diamine has a molecular weight of 304.82 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2-chlorophenyl)ethyl]-2-ethoxy-4-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 63677772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).