3-[3-[(1R)-1-aminoethyl]phenoxy]-N-propan-2-ylpropanamide

C14H22N2O2 — CID 55190813

IUPAC3-[3-[(1R)-1-aminoethyl]phenoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCOc1cccc([C@@H](C)N)c1
InChIInChI=1S/C14H22N2O2/c1-10(2)16-14(17)7-8-18-13-6-4-5-12(9-13)11(3)15/h4-6,9-11H,7-8,15H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyXRPNERLXLNYHPW-LLVKDONJSA-N
MW250.34 g/mol
LogP2.00
Rot. Bonds6

About 3-[3-[(1R)-1-aminoethyl]phenoxy]-N-propan-2-ylpropanamide

3-[3-[(1R)-1-aminoethyl]phenoxy]-N-propan-2-ylpropanamide (PubChem CID 55190813) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[3-[(1R)-1-aminoethyl]phenoxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[3-[(1R)-1-aminoethyl]phenoxy]-N-propan-2-ylpropanamide
PubChem CID55190813
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[3-[(1R)-1-aminoethyl]phenoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCOc1cccc([C@@H](C)N)c1
InChIInChI=1S/C14H22N2O2/c1-10(2)16-14(17)7-8-18-13-6-4-5-12(9-13)11(3)15/h4-6,9-11H,7-8,15H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyXRPNERLXLNYHPW-LLVKDONJSA-N
XLogP2.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2-aminopropyl)phenoxy]-N-propan-2-ylpropanamide
CID 62628251
3-[3-[(1S)-1-aminoethyl]phenoxy]-N-cyclopropylpropanamide
CID 63367378
3-[3-(aminomethyl)phenoxy]-N-propan-2-ylpropanamide
CID 62625154
4-[3-[(1R)-1-aminoethyl]phenoxy]-N-methylbutanamide
CID 78953849
3-(3-iodophenoxy)-N-propan-2-ylpropanamide
CID 55210430
methyl 4-[3-(1-aminoethyl)phenoxy]butanoate
CID 60879024
(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80698499
N-[3-[3-(1-aminoethyl)phenoxy]propyl]acetamide
CID 20567171
3-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide
CID 63365492
2-[3-(1-aminoethyl)phenoxy]-N-butan-2-ylacetamide
CID 16787074
3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide
CID 43006794
methyl 4-[2-[2-[6-[3-[(1S)-1-aminoethyl]phenoxy]hexoxy]ethoxy]ethoxy]butanoate
CID 164593088

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1R)-1-aminoethyl]phenoxy]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[3-[(1R)-1-aminoethyl]phenoxy]-N-propan-2-ylpropanamide (CID 55190813) is 3-[3-[(1R)-1-aminoethyl]phenoxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[3-[(1R)-1-aminoethyl]phenoxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[3-[(1R)-1-aminoethyl]phenoxy]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCOc1cccc([C@@H](C)N)c1.
What is the InChIKey of 3-[3-[(1R)-1-aminoethyl]phenoxy]-N-propan-2-ylpropanamide?
The InChIKey is XRPNERLXLNYHPW-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)16-14(17)7-8-18-13-6-4-5-12(9-13)11(3)15/h4-6,9-11H,7-8,15H2,1-3H3,(H,16,17)/t11-/m1/s1.
What are the key properties of 3-[3-[(1R)-1-aminoethyl]phenoxy]-N-propan-2-ylpropanamide?
3-[3-[(1R)-1-aminoethyl]phenoxy]-N-propan-2-ylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1R)-1-aminoethyl]phenoxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 55190813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).