2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-(cyclopropylmethyl)acetamide

C14H19ClN2O2 — CID 112614976

IUPAC2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-(cyclopropylmethyl)acetamide
SMILESNCCc1cccc(Cl)c1OCC(=O)NCC1CC1
InChIInChI=1S/C14H19ClN2O2/c15-12-3-1-2-11(6-7-16)14(12)19-9-13(18)17-8-10-4-5-10/h1-3,10H,4-9,16H2,(H,17,18)
InChIKeyMORSEWDVVXKRNO-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.75
Rot. Bonds7

About 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-(cyclopropylmethyl)acetamide

2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-(cyclopropylmethyl)acetamide (PubChem CID 112614976) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-(cyclopropylmethyl)acetamide
PubChem CID112614976
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-(cyclopropylmethyl)acetamide
SMILESNCCc1cccc(Cl)c1OCC(=O)NCC1CC1
InChIInChI=1S/C14H19ClN2O2/c15-12-3-1-2-11(6-7-16)14(12)19-9-13(18)17-8-10-4-5-10/h1-3,10H,4-9,16H2,(H,17,18)
InChIKeyMORSEWDVVXKRNO-UHFFFAOYSA-N
XLogP1.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylacetamide
CID 112615081
2-(4-amino-2,6-dichlorophenoxy)-N-(cyclopropylmethyl)acetamide
CID 43351652
2-[3-(2-aminoethyl)phenoxy]-N-(cyclopropylmethyl)acetamide
CID 54930853
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethyl-N-methylacetamide
CID 112615060
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
CID 115953715
methyl 3-[3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]propanoate
CID 122142322
2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-(cyclopropylmethyl)acetamide
CID 61390308
N-carbamoyl-2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]acetamide
CID 115953806
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide
CID 112615083
2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide
CID 60907032
2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-cyclopentylacetamide
CID 115952913
2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide
CID 28898320

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-(cyclopropylmethyl)acetamide (CID 112614976) is 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-(cyclopropylmethyl)acetamide is NCCc1cccc(Cl)c1OCC(=O)NCC1CC1.
What is the InChIKey of 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-(cyclopropylmethyl)acetamide?
The InChIKey is MORSEWDVVXKRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-12-3-1-2-11(6-7-16)14(12)19-9-13(18)17-8-10-4-5-10/h1-3,10H,4-9,16H2,(H,17,18).
What are the key properties of 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-(cyclopropylmethyl)acetamide?
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-(cyclopropylmethyl)acetamide has a molecular weight of 282.77 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 112614976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).