2-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]-N-methyl-N-propan-2-ylacetamide

C14H21ClN2O2 — CID 63366702

IUPAC2-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)COc1ccc(Cl)cc1[C@@H](C)N
InChIInChI=1S/C14H21ClN2O2/c1-9(2)17(4)14(18)8-19-13-6-5-11(15)7-12(13)10(3)16/h5-7,9-10H,8,16H2,1-4H3/t10-/m1/s1
InChIKeyPMEBHSRWPKIPNA-SNVBAGLBSA-N
MW284.79 g/mol
LogP2.61
Rot. Bonds5

About 2-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]-N-methyl-N-propan-2-ylacetamide

2-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]-N-methyl-N-propan-2-ylacetamide (PubChem CID 63366702) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]-N-methyl-N-propan-2-ylacetamide
PubChem CID63366702
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)COc1ccc(Cl)cc1[C@@H](C)N
InChIInChI=1S/C14H21ClN2O2/c1-9(2)17(4)14(18)8-19-13-6-5-11(15)7-12(13)10(3)16/h5-7,9-10H,8,16H2,1-4H3/t10-/m1/s1
InChIKeyPMEBHSRWPKIPNA-SNVBAGLBSA-N
XLogP2.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 78937363
2-[2-(1-aminoethyl)-4-chlorophenoxy]-N-ethylacetamide
CID 55031256
1-[5-chloro-2-(2-methylidenebutoxy)phenyl]ethanamine
CID 66044710
2-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]-N-(cyanomethyl)acetamide
CID 78932736
2-(4-amino-2-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide
CID 43259288
N-(1-aminopropan-2-yl)-2-(2,4-dichlorophenoxy)-N-methylacetamide;hydrochloride
CID 119581253
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60905074
1-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine
CID 65369844
1-[5-chloro-2-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 114471550
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-ethyl-N-methylacetamide
CID 55188481
6-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]hexan-1-ol
CID 107702669
5-[2-[(1S)-1-aminoethyl]-4-chlorophenoxy]pentan-1-ol
CID 55189555

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]-N-methyl-N-propan-2-ylacetamide (CID 63366702) is 2-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)COc1ccc(Cl)cc1[C@@H](C)N.
What is the InChIKey of 2-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is PMEBHSRWPKIPNA-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-9(2)17(4)14(18)8-19-13-6-5-11(15)7-12(13)10(3)16/h5-7,9-10H,8,16H2,1-4H3/t10-/m1/s1.
What are the key properties of 2-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]-N-methyl-N-propan-2-ylacetamide?
2-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 284.79 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 63366702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).