5-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-ethoxyaniline

C18H22ClNO — CID 63451474

IUPAC5-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-ethoxyaniline
SMILESCCOc1ccc(Cl)cc1NC(C)c1ccc(C)c(C)c1
InChIInChI=1S/C18H22ClNO/c1-5-21-18-9-8-16(19)11-17(18)20-14(4)15-7-6-12(2)13(3)10-15/h6-11,14,20H,5H2,1-4H3
InChIKeyMDYRBXFJPJUUDE-UHFFFAOYSA-N
MW303.83 g/mol
LogP5.53
Rot. Bonds5

About 5-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-ethoxyaniline

5-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-ethoxyaniline (PubChem CID 63451474) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 5-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-ethoxyaniline.

Molecular Properties

Compound Name5-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-ethoxyaniline
PubChem CID63451474
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name5-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-ethoxyaniline
SMILESCCOc1ccc(Cl)cc1NC(C)c1ccc(C)c(C)c1
InChIInChI=1S/C18H22ClNO/c1-5-21-18-9-8-16(19)11-17(18)20-14(4)15-7-6-12(2)13(3)10-15/h6-11,14,20H,5H2,1-4H3
InChIKeyMDYRBXFJPJUUDE-UHFFFAOYSA-N
XLogP5.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.83
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-ethoxyaniline
CID 63451342
5-chloro-2-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 60935115
5-chloro-2-ethoxy-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 60935228
5-chloro-2-ethoxy-N-(3-methylpentan-2-yl)aniline
CID 63451120
5-chloro-N-[1-(2-chlorophenyl)ethyl]-2-ethoxyaniline
CID 63451432
N-[1-(5-bromo-2-fluorophenyl)ethyl]-5-chloro-2-ethoxyaniline
CID 82963216
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline
CID 43110360
5-chloro-2-ethoxy-N-hexan-2-ylaniline
CID 63451337
5-chloro-N-[1-(3-fluorophenyl)ethyl]-2-propoxyaniline
CID 63453286
5-chloro-N-(dicyclopropylmethyl)-2-ethoxyaniline
CID 54865533
5-[1-(5-chloro-2-methoxyanilino)ethyl]benzene-1,3-diol
CID 107704980
1-(4-ethoxy-3-methylphenyl)-N-methylethanamine
CID 82491203

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-ethoxyaniline?
The IUPAC name of 5-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-ethoxyaniline (CID 63451474) is 5-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-ethoxyaniline.
What is the SMILES notation for 5-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-ethoxyaniline?
The canonical SMILES for 5-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-ethoxyaniline is CCOc1ccc(Cl)cc1NC(C)c1ccc(C)c(C)c1.
What is the InChIKey of 5-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-ethoxyaniline?
The InChIKey is MDYRBXFJPJUUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-5-21-18-9-8-16(19)11-17(18)20-14(4)15-7-6-12(2)13(3)10-15/h6-11,14,20H,5H2,1-4H3.
What are the key properties of 5-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-ethoxyaniline?
5-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-ethoxyaniline has a molecular weight of 303.83 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-ethoxyaniline is sourced from PubChem (CID 63451474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).