N-[(3-chloro-4,5-diethoxyphenyl)methyl]-4-ethylaniline

C19H24ClNO2 — CID 126127441

IUPACN-[(3-chloro-4,5-diethoxyphenyl)methyl]-4-ethylaniline
SMILESCCOc1cc(CNc2ccc(CC)cc2)cc(Cl)c1OCC
InChIInChI=1S/C19H24ClNO2/c1-4-14-7-9-16(10-8-14)21-13-15-11-17(20)19(23-6-3)18(12-15)22-5-2/h7-12,21H,4-6,13H2,1-3H3
InChIKeyWGPRACDRUYEATI-UHFFFAOYSA-N
MW333.86 g/mol
LogP5.31
Rot. Bonds8

About N-[(3-chloro-4,5-diethoxyphenyl)methyl]-4-ethylaniline

N-[(3-chloro-4,5-diethoxyphenyl)methyl]-4-ethylaniline (PubChem CID 126127441) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is N-[(3-chloro-4,5-diethoxyphenyl)methyl]-4-ethylaniline.

Molecular Properties

Compound NameN-[(3-chloro-4,5-diethoxyphenyl)methyl]-4-ethylaniline
PubChem CID126127441
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC NameN-[(3-chloro-4,5-diethoxyphenyl)methyl]-4-ethylaniline
SMILESCCOc1cc(CNc2ccc(CC)cc2)cc(Cl)c1OCC
InChIInChI=1S/C19H24ClNO2/c1-4-14-7-9-16(10-8-14)21-13-15-11-17(20)19(23-6-3)18(12-15)22-5-2/h7-12,21H,4-6,13H2,1-3H3
InChIKeyWGPRACDRUYEATI-UHFFFAOYSA-N
XLogP5.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.86
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethylaniline
CID 126123231
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-4-ethylaniline
CID 43764278
N-[[4-[(4-bromophenyl)methoxy]-3-chloro-5-ethoxyphenyl]methyl]-4-methylaniline
CID 126120752
5-[(3-chloro-4,5-diethoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 17060009
2-[2-chloro-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539439
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethoxyaniline
CID 126121641
N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methyl]-4-ethylaniline
CID 126120288
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethoxyaniline
CID 126127578
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethylaniline
CID 126128844
2-chloro-6-ethoxy-4-[(4-ethoxyanilino)methyl]phenol
CID 83455060
ethyl 4-[[3-chloro-5-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]benzoate
CID 66539385
N-[[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126124383

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4,5-diethoxyphenyl)methyl]-4-ethylaniline?
The IUPAC name of N-[(3-chloro-4,5-diethoxyphenyl)methyl]-4-ethylaniline (CID 126127441) is N-[(3-chloro-4,5-diethoxyphenyl)methyl]-4-ethylaniline.
What is the SMILES notation for N-[(3-chloro-4,5-diethoxyphenyl)methyl]-4-ethylaniline?
The canonical SMILES for N-[(3-chloro-4,5-diethoxyphenyl)methyl]-4-ethylaniline is CCOc1cc(CNc2ccc(CC)cc2)cc(Cl)c1OCC.
What is the InChIKey of N-[(3-chloro-4,5-diethoxyphenyl)methyl]-4-ethylaniline?
The InChIKey is WGPRACDRUYEATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO2/c1-4-14-7-9-16(10-8-14)21-13-15-11-17(20)19(23-6-3)18(12-15)22-5-2/h7-12,21H,4-6,13H2,1-3H3.
What are the key properties of N-[(3-chloro-4,5-diethoxyphenyl)methyl]-4-ethylaniline?
N-[(3-chloro-4,5-diethoxyphenyl)methyl]-4-ethylaniline has a molecular weight of 333.86 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4,5-diethoxyphenyl)methyl]-4-ethylaniline is sourced from PubChem (CID 126127441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).