5-chloro-2-ethoxy-N-[1-(3-methoxyphenyl)ethyl]aniline

C17H20ClNO2 — CID 60935228

IUPAC5-chloro-2-ethoxy-N-[1-(3-methoxyphenyl)ethyl]aniline
SMILESCCOc1ccc(Cl)cc1NC(C)c1cccc(OC)c1
InChIInChI=1S/C17H20ClNO2/c1-4-21-17-9-8-14(18)11-16(17)19-12(2)13-6-5-7-15(10-13)20-3/h5-12,19H,4H2,1-3H3
InChIKeyTUAZPTALRIZTFX-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.92
Rot. Bonds6

About 5-chloro-2-ethoxy-N-[1-(3-methoxyphenyl)ethyl]aniline

5-chloro-2-ethoxy-N-[1-(3-methoxyphenyl)ethyl]aniline (PubChem CID 60935228) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 5-chloro-2-ethoxy-N-[1-(3-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name5-chloro-2-ethoxy-N-[1-(3-methoxyphenyl)ethyl]aniline
PubChem CID60935228
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name5-chloro-2-ethoxy-N-[1-(3-methoxyphenyl)ethyl]aniline
SMILESCCOc1ccc(Cl)cc1NC(C)c1cccc(OC)c1
InChIInChI=1S/C17H20ClNO2/c1-4-21-17-9-8-14(18)11-16(17)19-12(2)13-6-5-7-15(10-13)20-3/h5-12,19H,4H2,1-3H3
InChIKeyTUAZPTALRIZTFX-UHFFFAOYSA-N
XLogP4.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 60935115
5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-ethoxyaniline
CID 63451342
5-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-ethoxyaniline
CID 63451474
5-chloro-N-[1-(2-chlorophenyl)ethyl]-2-ethoxyaniline
CID 63451432
5-chloro-N-[1-(3-fluorophenyl)ethyl]-2-propoxyaniline
CID 63453286
3-[1-(5-chloro-2-methoxyanilino)ethyl]phenol
CID 43193345
[2-ethoxy-5-[1-(3-methoxyphenyl)ethylamino]phenyl]methanol
CID 110897363
5-chloro-2-ethoxy-N-(3-methylpentan-2-yl)aniline
CID 63451120
N-[1-(3-chlorophenyl)ethyl]-2-ethoxy-4-fluoroaniline
CID 43730085
2-fluoro-N-[1-(3-methoxyphenyl)ethyl]-5-methylaniline
CID 43122780
(1R)-N-[1-(2,4-dichlorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81382583
N-[1-(5-bromo-2-fluorophenyl)ethyl]-5-chloro-2-ethoxyaniline
CID 82963216

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethoxy-N-[1-(3-methoxyphenyl)ethyl]aniline?
The IUPAC name of 5-chloro-2-ethoxy-N-[1-(3-methoxyphenyl)ethyl]aniline (CID 60935228) is 5-chloro-2-ethoxy-N-[1-(3-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 5-chloro-2-ethoxy-N-[1-(3-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 5-chloro-2-ethoxy-N-[1-(3-methoxyphenyl)ethyl]aniline is CCOc1ccc(Cl)cc1NC(C)c1cccc(OC)c1.
What is the InChIKey of 5-chloro-2-ethoxy-N-[1-(3-methoxyphenyl)ethyl]aniline?
The InChIKey is TUAZPTALRIZTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-4-21-17-9-8-14(18)11-16(17)19-12(2)13-6-5-7-15(10-13)20-3/h5-12,19H,4H2,1-3H3.
What are the key properties of 5-chloro-2-ethoxy-N-[1-(3-methoxyphenyl)ethyl]aniline?
5-chloro-2-ethoxy-N-[1-(3-methoxyphenyl)ethyl]aniline has a molecular weight of 305.81 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethoxy-N-[1-(3-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 60935228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).