2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide

C14H17ClN2O2 — CID 112608703

IUPAC2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1c(Cl)cccc1CNC
InChIInChI=1S/C14H17ClN2O2/c1-4-8-17-14(18)10(2)19-13-11(9-16-3)6-5-7-12(13)15/h1,5-7,10,16H,8-9H2,2-3H3,(H,17,18)
InChIKeyYOIUTTLGRCLDSR-UHFFFAOYSA-N
MW280.75 g/mol
LogP1.58
Rot. Bonds6

About 2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide

2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide (PubChem CID 112608703) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide
PubChem CID112608703
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1c(Cl)cccc1CNC
InChIInChI=1S/C14H17ClN2O2/c1-4-8-17-14(18)10(2)19-13-11(9-16-3)6-5-7-12(13)15/h1,5-7,10,16H,8-9H2,2-3H3,(H,17,18)
InChIKeyYOIUTTLGRCLDSR-UHFFFAOYSA-N
XLogP1.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 112608452
2-[2-(aminomethyl)-6-chlorophenoxy]-N-prop-2-ynylpropanamide
CID 112607862
2-[2-chloro-6-[(propan-2-ylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
CID 115954513
2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 112608605
2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide
CID 112608234
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-ethylpropanamide
CID 43515707
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide
CID 112615083
2-[2-(methylaminomethyl)-4-nitrophenoxy]-N-prop-2-ynylpropanamide
CID 60887470
2-[2-(aminomethyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
CID 112607554
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-propylpropanamide
CID 43515713
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-phenylpropanamide
CID 115956267
2-(2,4-dichloro-6-formylphenoxy)-N-prop-2-ynylpropanamide
CID 43515928

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide (CID 112608703) is 2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)Oc1c(Cl)cccc1CNC.
What is the InChIKey of 2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide?
The InChIKey is YOIUTTLGRCLDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-4-8-17-14(18)10(2)19-13-11(9-16-3)6-5-7-12(13)15/h1,5-7,10,16H,8-9H2,2-3H3,(H,17,18).
What are the key properties of 2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide?
2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide has a molecular weight of 280.75 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 112608703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).