5-chloro-2-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline

C17H20ClNO2 — CID 60935115

IUPAC5-chloro-2-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline
SMILESCCOc1ccc(Cl)cc1NC(C)c1ccc(OC)cc1
InChIInChI=1S/C17H20ClNO2/c1-4-21-17-10-7-14(18)11-16(17)19-12(2)13-5-8-15(20-3)9-6-13/h5-12,19H,4H2,1-3H3
InChIKeyBVXZKBAIXVPFJG-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.92
Rot. Bonds6

About 5-chloro-2-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline

5-chloro-2-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline (PubChem CID 60935115) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 5-chloro-2-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name5-chloro-2-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline
PubChem CID60935115
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name5-chloro-2-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline
SMILESCCOc1ccc(Cl)cc1NC(C)c1ccc(OC)cc1
InChIInChI=1S/C17H20ClNO2/c1-4-21-17-10-7-14(18)11-16(17)19-12(2)13-5-8-15(20-3)9-6-13/h5-12,19H,4H2,1-3H3
InChIKeyBVXZKBAIXVPFJG-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-N-[1-(4-chlorophenyl)ethyl]-2-ethoxyaniline
CID 63451342
5-chloro-2-ethoxy-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 60935228
5-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-ethoxyaniline
CID 63451474
3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 60943275
5-chloro-2-ethoxy-N-(3-methylpentan-2-yl)aniline
CID 63451120
5-chloro-N-[1-(2-chlorophenyl)ethyl]-2-ethoxyaniline
CID 63451432
5-chloro-N-[1-(4-methoxyphenyl)ethyl]-2-nitroaniline
CID 43686093
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-[1-(5-chloro-2-methoxyanilino)ethyl]benzene-1,3-diol
CID 107704980
2,5-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43108494
5-chloro-2-ethoxy-N-hexan-2-ylaniline
CID 63451337

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline?
The IUPAC name of 5-chloro-2-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline (CID 60935115) is 5-chloro-2-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 5-chloro-2-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 5-chloro-2-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline is CCOc1ccc(Cl)cc1NC(C)c1ccc(OC)cc1.
What is the InChIKey of 5-chloro-2-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline?
The InChIKey is BVXZKBAIXVPFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-4-21-17-10-7-14(18)11-16(17)19-12(2)13-5-8-15(20-3)9-6-13/h5-12,19H,4H2,1-3H3.
What are the key properties of 5-chloro-2-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline?
5-chloro-2-ethoxy-N-[1-(4-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-(4-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 60935115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).