2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-cyclopropyl-N-methylacetamide

C16H23ClN2O2 — CID 62072702

IUPAC2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-cyclopropyl-N-methylacetamide
SMILESCCNC(C)c1cc(Cl)ccc1OCC(=O)N(C)C1CC1
InChIInChI=1S/C16H23ClN2O2/c1-4-18-11(2)14-9-12(17)5-8-15(14)21-10-16(20)19(3)13-6-7-13/h5,8-9,11,13,18H,4,6-7,10H2,1-3H3
InChIKeyDOFYZVYFUBHDSF-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.01
Rot. Bonds7

About 2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-cyclopropyl-N-methylacetamide

2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-cyclopropyl-N-methylacetamide (PubChem CID 62072702) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-cyclopropyl-N-methylacetamide
PubChem CID62072702
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-cyclopropyl-N-methylacetamide
SMILESCCNC(C)c1cc(Cl)ccc1OCC(=O)N(C)C1CC1
InChIInChI=1S/C16H23ClN2O2/c1-4-18-11(2)14-9-12(17)5-8-15(14)21-10-16(20)19(3)13-6-7-13/h5,8-9,11,13,18H,4,6-7,10H2,1-3H3
InChIKeyDOFYZVYFUBHDSF-UHFFFAOYSA-N
XLogP3.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 54956878
2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]-N-cyclopropylacetamide
CID 62074242
1-[5-chloro-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine
CID 63499775
1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine
CID 62074237
2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-methylacetamide
CID 113277202
2-(2,4-dichlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 110830692
3-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]propan-1-ol
CID 62073207
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 62072700
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-cyclopropyl-N-methylacetamide
CID 62368885
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
1-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butan-2-ol
CID 62074920
2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 62074759

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-cyclopropyl-N-methylacetamide (CID 62072702) is 2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-cyclopropyl-N-methylacetamide is CCNC(C)c1cc(Cl)ccc1OCC(=O)N(C)C1CC1.
What is the InChIKey of 2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-cyclopropyl-N-methylacetamide?
The InChIKey is DOFYZVYFUBHDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-4-18-11(2)14-9-12(17)5-8-15(14)21-10-16(20)19(3)13-6-7-13/h5,8-9,11,13,18H,4,6-7,10H2,1-3H3.
What are the key properties of 2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-cyclopropyl-N-methylacetamide?
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-cyclopropyl-N-methylacetamide has a molecular weight of 310.83 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 62072702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).