2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylpropanamide

C12H17ClN2O2 — CID 43277867

IUPAC2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylpropanamide
SMILESCNCc1cc(Cl)ccc1OC(C)C(=O)NC
InChIInChI=1S/C12H17ClN2O2/c1-8(12(16)15-3)17-11-5-4-10(13)6-9(11)7-14-2/h4-6,8,14H,7H2,1-3H3,(H,15,16)
InChIKeyKVLCZUUDOZRTEE-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.57
Rot. Bonds5

About 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylpropanamide

2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylpropanamide (PubChem CID 43277867) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylpropanamide
PubChem CID43277867
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylpropanamide
SMILESCNCc1cc(Cl)ccc1OC(C)C(=O)NC
InChIInChI=1S/C12H17ClN2O2/c1-8(12(16)15-3)17-11-5-4-10(13)6-9(11)7-14-2/h4-6,8,14H,7H2,1-3H3,(H,15,16)
InChIKeyKVLCZUUDOZRTEE-UHFFFAOYSA-N
XLogP1.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide
CID 60881074
2-[4-chloro-2-(propylaminomethyl)phenoxy]-N-propylpropanamide
CID 43277990
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-methylpropanamide
CID 61464183
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]-N-propylpropanamide
CID 43278038
2-(5-chloro-2-cyanophenoxy)-N-methylpropanamide
CID 114322693
2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-propan-2-ylpropanamide
CID 43278086
N-butan-2-yl-2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide
CID 43324858
2-[4-fluoro-2-(methylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 107695387
2-[4-(aminomethyl)-2-chlorophenoxy]-N-methylpropanamide
CID 61389158
(2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide
CID 119340956
(2S)-2-(2-ethylphenoxy)-N-methylpropanamide
CID 28577058

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylpropanamide?
The IUPAC name of 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylpropanamide (CID 43277867) is 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylpropanamide.
What is the SMILES notation for 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylpropanamide?
The canonical SMILES for 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylpropanamide is CNCc1cc(Cl)ccc1OC(C)C(=O)NC.
What is the InChIKey of 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylpropanamide?
The InChIKey is KVLCZUUDOZRTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-8(12(16)15-3)17-11-5-4-10(13)6-9(11)7-14-2/h4-6,8,14H,7H2,1-3H3,(H,15,16).
What are the key properties of 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylpropanamide?
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylpropanamide has a molecular weight of 256.73 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylpropanamide is sourced from PubChem (CID 43277867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).