N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2-ethylaniline

C17H19Cl2NO — CID 126121520

IUPACN-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2-ethylaniline
SMILESCCOc1c(Cl)cc(CNc2ccccc2CC)cc1Cl
InChIInChI=1S/C17H19Cl2NO/c1-3-13-7-5-6-8-16(13)20-11-12-9-14(18)17(21-4-2)15(19)10-12/h5-10,20H,3-4,11H2,1-2H3
InChIKeyJKECMQZKHHPUAT-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.57
Rot. Bonds6

About N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2-ethylaniline

N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2-ethylaniline (PubChem CID 126121520) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2-ethylaniline.

Molecular Properties

Compound NameN-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2-ethylaniline
PubChem CID126121520
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC NameN-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2-ethylaniline
SMILESCCOc1c(Cl)cc(CNc2ccccc2CC)cc1Cl
InChIInChI=1S/C17H19Cl2NO/c1-3-13-7-5-6-8-16(13)20-11-12-9-14(18)17(21-4-2)15(19)10-12/h5-10,20H,3-4,11H2,1-2H3
InChIKeyJKECMQZKHHPUAT-UHFFFAOYSA-N
XLogP5.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethylaniline
CID 126121101
N-[[4-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline
CID 126120263
N-[[3-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-ethylaniline
CID 126122735
N-[(3,5-dichlorophenyl)methyl]-2-ethylaniline
CID 54920225
N-[(3,5-dibromo-4-phenylmethoxyphenyl)methyl]-2-ethylaniline
CID 126122856
N-[(3-ethoxy-5-iodo-4-methoxyphenyl)methyl]-2-ethylaniline
CID 126120875
N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 17155612
2-ethyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63052031
N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline
CID 126117021
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylaniline
CID 126128677
N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-methylaniline
CID 126120424
3-chloro-N-[[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2-methylaniline
CID 126117260

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2-ethylaniline?
The IUPAC name of N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2-ethylaniline (CID 126121520) is N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2-ethylaniline.
What is the SMILES notation for N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2-ethylaniline?
The canonical SMILES for N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2-ethylaniline is CCOc1c(Cl)cc(CNc2ccccc2CC)cc1Cl.
What is the InChIKey of N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2-ethylaniline?
The InChIKey is JKECMQZKHHPUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-3-13-7-5-6-8-16(13)20-11-12-9-14(18)17(21-4-2)15(19)10-12/h5-10,20H,3-4,11H2,1-2H3.
What are the key properties of N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2-ethylaniline?
N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2-ethylaniline has a molecular weight of 324.25 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2-ethylaniline is sourced from PubChem (CID 126121520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).