2-[2-[(1S)-1-aminopropyl]phenoxy]-N-ethyl-N-methylacetamide

C14H22N2O2 — CID 78932557

IUPAC2-[2-[(1S)-1-aminopropyl]phenoxy]-N-ethyl-N-methylacetamide
SMILESCC[C@H](N)c1ccccc1OCC(=O)N(C)CC
InChIInChI=1S/C14H22N2O2/c1-4-12(15)11-8-6-7-9-13(11)18-10-14(17)16(3)5-2/h6-9,12H,4-5,10,15H2,1-3H3/t12-/m0/s1
InChIKeyPLNIXKGASCBPKR-LBPRGKRZSA-N
MW250.34 g/mol
LogP1.95
Rot. Bonds6

About 2-[2-[(1S)-1-aminopropyl]phenoxy]-N-ethyl-N-methylacetamide

2-[2-[(1S)-1-aminopropyl]phenoxy]-N-ethyl-N-methylacetamide (PubChem CID 78932557) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[2-[(1S)-1-aminopropyl]phenoxy]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[(1S)-1-aminopropyl]phenoxy]-N-ethyl-N-methylacetamide
PubChem CID78932557
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[2-[(1S)-1-aminopropyl]phenoxy]-N-ethyl-N-methylacetamide
SMILESCC[C@H](N)c1ccccc1OCC(=O)N(C)CC
InChIInChI=1S/C14H22N2O2/c1-4-12(15)11-8-6-7-9-13(11)18-10-14(17)16(3)5-2/h6-9,12H,4-5,10,15H2,1-3H3/t12-/m0/s1
InChIKeyPLNIXKGASCBPKR-LBPRGKRZSA-N
XLogP1.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-(1-aminopropyl)phenoxy]acetate
CID 60877898
2-[2-[(1S)-1-aminopropyl]phenoxy]acetamide
CID 30076593
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine
CID 65369462
(1S)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 78933036
(1R)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 63366086
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-ethyl-N-methylacetamide
CID 55188481
1-(2-ethoxyphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine
CID 43570986
N-methyl-2-(2-propan-2-ylphenoxy)acetohydrazide
CID 116820498
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
2-[2-[(1S)-1-aminopropyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 78933161
(1R)-1-(2-ethoxyphenyl)-2-fluoroethanamine
CID 124705479

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-aminopropyl]phenoxy]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[2-[(1S)-1-aminopropyl]phenoxy]-N-ethyl-N-methylacetamide (CID 78932557) is 2-[2-[(1S)-1-aminopropyl]phenoxy]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[2-[(1S)-1-aminopropyl]phenoxy]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[2-[(1S)-1-aminopropyl]phenoxy]-N-ethyl-N-methylacetamide is CC[C@H](N)c1ccccc1OCC(=O)N(C)CC.
What is the InChIKey of 2-[2-[(1S)-1-aminopropyl]phenoxy]-N-ethyl-N-methylacetamide?
The InChIKey is PLNIXKGASCBPKR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-12(15)11-8-6-7-9-13(11)18-10-14(17)16(3)5-2/h6-9,12H,4-5,10,15H2,1-3H3/t12-/m0/s1.
What are the key properties of 2-[2-[(1S)-1-aminopropyl]phenoxy]-N-ethyl-N-methylacetamide?
2-[2-[(1S)-1-aminopropyl]phenoxy]-N-ethyl-N-methylacetamide has a molecular weight of 250.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S)-1-aminopropyl]phenoxy]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 78932557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).