4-chloro-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylaniline

C17H20ClNO2 — CID 43766538

IUPAC4-chloro-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylaniline
SMILESCCOc1cccc(CNc2ccc(Cl)cc2C)c1OC
InChIInChI=1S/C17H20ClNO2/c1-4-21-16-7-5-6-13(17(16)20-3)11-19-15-9-8-14(18)10-12(15)2/h5-10,19H,4,11H2,1-3H3
InChIKeyJJUOTBFLZUHPTP-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.67
Rot. Bonds6

About 4-chloro-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylaniline

4-chloro-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylaniline (PubChem CID 43766538) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-chloro-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylaniline.

Molecular Properties

Compound Name4-chloro-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylaniline
PubChem CID43766538
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name4-chloro-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylaniline
SMILESCCOc1cccc(CNc2ccc(Cl)cc2C)c1OC
InChIInChI=1S/C17H20ClNO2/c1-4-21-16-7-5-6-13(17(16)20-3)11-19-15-9-8-14(18)10-12(15)2/h5-10,19H,4,11H2,1-3H3
InChIKeyJJUOTBFLZUHPTP-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 43757786
4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-2-fluoroaniline
CID 43716521
3-chloro-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-fluoroaniline
CID 43772873
5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methylaniline
CID 894349
N-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 29274401
4-[(2-ethoxy-3-methoxyphenyl)methylamino]-3-methylbenzoic acid
CID 17059596
2-[(5-chloro-2-ethoxyanilino)methyl]phenol
CID 54865428
3-[(5-chloro-2-ethoxyanilino)methyl]benzene-1,2-diol
CID 61319929
N-[(3-ethoxy-2-methoxyphenyl)methyl]-4-iodoaniline
CID 43773219
4-chloro-N-(isoquinolin-5-ylmethyl)-2-methylaniline
CID 62823888
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79090813
1-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenyl)urea
CID 108991826

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylaniline?
The IUPAC name of 4-chloro-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylaniline (CID 43766538) is 4-chloro-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylaniline.
What is the SMILES notation for 4-chloro-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylaniline?
The canonical SMILES for 4-chloro-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylaniline is CCOc1cccc(CNc2ccc(Cl)cc2C)c1OC.
What is the InChIKey of 4-chloro-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylaniline?
The InChIKey is JJUOTBFLZUHPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-4-21-16-7-5-6-13(17(16)20-3)11-19-15-9-8-14(18)10-12(15)2/h5-10,19H,4,11H2,1-3H3.
What are the key properties of 4-chloro-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylaniline?
4-chloro-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylaniline has a molecular weight of 305.81 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylaniline is sourced from PubChem (CID 43766538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).