2-[4-(aminomethyl)-2-chlorophenoxy]-N-methylpropanamide

C11H15ClN2O2 — CID 61389158

IUPAC2-[4-(aminomethyl)-2-chlorophenoxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1ccc(CN)cc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-7(11(15)14-2)16-10-4-3-8(6-13)5-9(10)12/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyOHYLCCCVXZFBPH-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.31
Rot. Bonds4

About 2-[4-(aminomethyl)-2-chlorophenoxy]-N-methylpropanamide

2-[4-(aminomethyl)-2-chlorophenoxy]-N-methylpropanamide (PubChem CID 61389158) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-chlorophenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-chlorophenoxy]-N-methylpropanamide
PubChem CID61389158
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-[4-(aminomethyl)-2-chlorophenoxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1ccc(CN)cc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-7(11(15)14-2)16-10-4-3-8(6-13)5-9(10)12/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyOHYLCCCVXZFBPH-UHFFFAOYSA-N
XLogP1.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-2-chlorophenoxy]-N-propan-2-ylpropanamide
CID 54984073
2-[4-(aminomethyl)-2-chlorophenoxy]-N-pentylpropanamide
CID 61389141
2-[2-chloro-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
CID 63058381
2-(2-chloro-4-ethylphenoxy)propanehydrazide
CID 54793011
2-(2-chloro-4-cyanophenoxy)-N-methylpropanamide
CID 60667353
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-(methylcarbamoyl)propanamide
CID 43122504
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylpropanamide
CID 43277867
2-amino-3-(3-chloro-4-methoxyphenyl)-N-methylpropanamide
CID 116850489
2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-methylpropanamide
CID 63052142
[4-(aminomethyl)-2-chlorophenyl] acetate
CID 174881739
(3,5-dimethylphenyl)methyl N-[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamate
CID 40599815
(2R)-2-(2,4-dichlorophenoxy)-N-ethoxypropanamide
CID 30690113

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-chlorophenoxy]-N-methylpropanamide?
The IUPAC name of 2-[4-(aminomethyl)-2-chlorophenoxy]-N-methylpropanamide (CID 61389158) is 2-[4-(aminomethyl)-2-chlorophenoxy]-N-methylpropanamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-chlorophenoxy]-N-methylpropanamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-chlorophenoxy]-N-methylpropanamide is CNC(=O)C(C)Oc1ccc(CN)cc1Cl.
What is the InChIKey of 2-[4-(aminomethyl)-2-chlorophenoxy]-N-methylpropanamide?
The InChIKey is OHYLCCCVXZFBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-7(11(15)14-2)16-10-4-3-8(6-13)5-9(10)12/h3-5,7H,6,13H2,1-2H3,(H,14,15).
What are the key properties of 2-[4-(aminomethyl)-2-chlorophenoxy]-N-methylpropanamide?
2-[4-(aminomethyl)-2-chlorophenoxy]-N-methylpropanamide has a molecular weight of 242.71 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-chlorophenoxy]-N-methylpropanamide is sourced from PubChem (CID 61389158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).