2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N-ethylacetamide

C15H23ClN2O3 — CID 104664912

IUPAC2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1c(CNC(C)C)cc(Cl)cc1OC
InChIInChI=1S/C15H23ClN2O3/c1-5-17-14(19)9-21-15-11(8-18-10(2)3)6-12(16)7-13(15)20-4/h6-7,10,18H,5,8-9H2,1-4H3,(H,17,19)
InChIKeySWHNZDXTQVWPCY-UHFFFAOYSA-N
MW314.81 g/mol
LogP2.36
Rot. Bonds8

About 2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N-ethylacetamide

2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N-ethylacetamide (PubChem CID 104664912) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N-ethylacetamide
PubChem CID104664912
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1c(CNC(C)C)cc(Cl)cc1OC
InChIInChI=1S/C15H23ClN2O3/c1-5-17-14(19)9-21-15-11(8-18-10(2)3)6-12(16)7-13(15)20-4/h6-7,10,18H,5,8-9H2,1-4H3,(H,17,19)
InChIKeySWHNZDXTQVWPCY-UHFFFAOYSA-N
XLogP2.36
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 104664877
2-[4-chloro-2-methoxy-6-(propylaminomethyl)phenoxy]-N-ethylacetamide
CID 104664816
N-[[5-chloro-3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 104664908
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]propan-2-amine;hydrochloride
CID 17156731
N-[[5-chloro-2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]propan-2-amine
CID 104664891
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-propan-2-ylacetamide
CID 104666110
N-[[5-chloro-3-methoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
CID 114471775
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-(3-methylbutyl)acetamide
CID 104666002
2-[2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]ethoxy]ethanol
CID 104664875
N-ethyl-2-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 112610064
2-[2-[(tert-butylamino)methyl]-4-chloro-6-methoxyphenoxy]-N-methylacetamide
CID 104665072
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-(cyanomethyl)acetamide
CID 104666010

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N-ethylacetamide?
The IUPAC name of 2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N-ethylacetamide (CID 104664912) is 2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N-ethylacetamide.
What is the SMILES notation for 2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N-ethylacetamide?
The canonical SMILES for 2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N-ethylacetamide is CCNC(=O)COc1c(CNC(C)C)cc(Cl)cc1OC.
What is the InChIKey of 2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N-ethylacetamide?
The InChIKey is SWHNZDXTQVWPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-5-17-14(19)9-21-15-11(8-18-10(2)3)6-12(16)7-13(15)20-4/h6-7,10,18H,5,8-9H2,1-4H3,(H,17,19).
What are the key properties of 2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N-ethylacetamide?
2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N-ethylacetamide has a molecular weight of 314.81 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N-ethylacetamide is sourced from PubChem (CID 104664912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).