2-[4-[(1S)-1-aminoethyl]phenoxy]-N-tert-butylpropanamide

C15H24N2O2 — CID 78933085

IUPAC2-[4-[(1S)-1-aminoethyl]phenoxy]-N-tert-butylpropanamide
SMILESCC(Oc1ccc([C@H](C)N)cc1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-10(16)12-6-8-13(9-7-12)19-11(2)14(18)17-15(3,4)5/h6-11H,16H2,1-5H3,(H,17,18)/t10-,11?/m0/s1
InChIKeyJFZUDHKMIIMWIJ-VUWPPUDQSA-N
MW264.37 g/mol
LogP2.39
Rot. Bonds4

About 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-tert-butylpropanamide

2-[4-[(1S)-1-aminoethyl]phenoxy]-N-tert-butylpropanamide (PubChem CID 78933085) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[4-[(1S)-1-aminoethyl]phenoxy]-N-tert-butylpropanamide
PubChem CID78933085
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[4-[(1S)-1-aminoethyl]phenoxy]-N-tert-butylpropanamide
SMILESCC(Oc1ccc([C@H](C)N)cc1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-10(16)12-6-8-13(9-7-12)19-11(2)14(18)17-15(3,4)5/h6-11H,16H2,1-5H3,(H,17,18)/t10-,11?/m0/s1
InChIKeyJFZUDHKMIIMWIJ-VUWPPUDQSA-N
XLogP2.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 63367482
(2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide
CID 925163
4-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]oxybenzamide
CID 8946463
N-tert-butyl-2-(4-formylphenoxy)propanamide
CID 43086480
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-phenylpropanamide
CID 78934009
N-tert-butyl-2-[4-(methylaminomethyl)phenoxy]propanamide
CID 43276886
(2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 8887369
N-tert-butyl-2-[3-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 78933960
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 63367457
[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8855456
(2S)-N-tert-butyl-2-(3-chlorophenoxy)propanamide
CID 966263
N-carbamoyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 55190570

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-tert-butylpropanamide?
The IUPAC name of 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-tert-butylpropanamide (CID 78933085) is 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-tert-butylpropanamide?
The canonical SMILES for 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-tert-butylpropanamide is CC(Oc1ccc([C@H](C)N)cc1)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-tert-butylpropanamide?
The InChIKey is JFZUDHKMIIMWIJ-VUWPPUDQSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(16)12-6-8-13(9-7-12)19-11(2)14(18)17-15(3,4)5/h6-11H,16H2,1-5H3,(H,17,18)/t10-,11?/m0/s1.
What are the key properties of 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-tert-butylpropanamide?
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-tert-butylpropanamide has a molecular weight of 264.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-tert-butylpropanamide is sourced from PubChem (CID 78933085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).