2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide

C16H25ClN2O2 — CID 114319148

IUPAC2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
SMILESCCNCc1c(Cl)cccc1OC(C)C(=O)NCC(C)C
InChIInChI=1S/C16H25ClN2O2/c1-5-18-10-13-14(17)7-6-8-15(13)21-12(4)16(20)19-9-11(2)3/h6-8,11-12,18H,5,9-10H2,1-4H3,(H,19,20)
InChIKeyHDOGFHXXMNVGBZ-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.99
Rot. Bonds8

About 2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide

2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide (PubChem CID 114319148) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
PubChem CID114319148
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
SMILESCCNCc1c(Cl)cccc1OC(C)C(=O)NCC(C)C
InChIInChI=1S/C16H25ClN2O2/c1-5-18-10-13-14(17)7-6-8-15(13)21-12(4)16(20)19-9-11(2)3/h6-8,11-12,18H,5,9-10H2,1-4H3,(H,19,20)
InChIKeyHDOGFHXXMNVGBZ-UHFFFAOYSA-N
XLogP2.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
CID 114319962
2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-ethylpropanamide
CID 113277086
2-(2-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506587
ethyl 2-[3-chloro-2-(propylaminomethyl)phenoxy]propanoate
CID 114319515
2-[3-chloro-2-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide
CID 114318673
2-[2-(aminomethyl)-3-chlorophenoxy]-N-(ethylcarbamoyl)propanamide
CID 114318401
2-[2-(aminomethyl)-3-chlorophenoxy]-N-butylpropanamide
CID 114318420
2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030471
2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 114320670
2-[2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 43277159
2-[2-(aminomethyl)-3-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 43609241
(2S)-2-(2,3-dichlorophenoxy)-N-[(2R)-2-phenylpropyl]propanamide
CID 8604307

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide (CID 114319148) is 2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide is CCNCc1c(Cl)cccc1OC(C)C(=O)NCC(C)C.
What is the InChIKey of 2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide?
The InChIKey is HDOGFHXXMNVGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-5-18-10-13-14(17)7-6-8-15(13)21-12(4)16(20)19-9-11(2)3/h6-8,11-12,18H,5,9-10H2,1-4H3,(H,19,20).
What are the key properties of 2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide?
2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide has a molecular weight of 312.84 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 114319148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).