2-[4-(2-aminopropyl)-2-chloro-6-methoxyphenoxy]-N-prop-2-ynylacetamide

C15H19ClN2O3 — CID 60908054

IUPAC2-[4-(2-aminopropyl)-2-chloro-6-methoxyphenoxy]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1c(Cl)cc(CC(C)N)cc1OC
InChIInChI=1S/C15H19ClN2O3/c1-4-5-18-14(19)9-21-15-12(16)7-11(6-10(2)17)8-13(15)20-3/h1,7-8,10H,5-6,9,17H2,2-3H3,(H,18,19)
InChIKeyUFQUPRLCUURMAF-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.37
Rot. Bonds7

About 2-[4-(2-aminopropyl)-2-chloro-6-methoxyphenoxy]-N-prop-2-ynylacetamide

2-[4-(2-aminopropyl)-2-chloro-6-methoxyphenoxy]-N-prop-2-ynylacetamide (PubChem CID 60908054) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-[4-(2-aminopropyl)-2-chloro-6-methoxyphenoxy]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminopropyl)-2-chloro-6-methoxyphenoxy]-N-prop-2-ynylacetamide
PubChem CID60908054
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name2-[4-(2-aminopropyl)-2-chloro-6-methoxyphenoxy]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1c(Cl)cc(CC(C)N)cc1OC
InChIInChI=1S/C15H19ClN2O3/c1-4-5-18-14(19)9-21-15-12(16)7-11(6-10(2)17)8-13(15)20-3/h1,7-8,10H,5-6,9,17H2,2-3H3,(H,18,19)
InChIKeyUFQUPRLCUURMAF-UHFFFAOYSA-N
XLogP1.37
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-chloro-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]propan-2-amine
CID 54930700
N-prop-2-ynyl-2-(2,4,6-trichlorophenoxy)acetamide
CID 79502063
1-(3-chloro-5-methoxy-4-propoxyphenyl)propan-2-amine
CID 54930877
2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-prop-2-ynylacetamide
CID 43622673
4-[4-(2-aminopropyl)-2-chloro-6-methoxyphenoxy]butanenitrile
CID 54930832
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61487525
1-[3-chloro-4-(2-ethylsulfonylethoxy)-5-methoxyphenyl]propan-2-amine
CID 60906618
2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
CID 60882437
2-[2-chloro-6-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
CID 43276589
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(3-methoxypropyl)acetamide
CID 61486427
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-carbamoylacetamide
CID 28966876
2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide
CID 28898320

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropyl)-2-chloro-6-methoxyphenoxy]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[4-(2-aminopropyl)-2-chloro-6-methoxyphenoxy]-N-prop-2-ynylacetamide (CID 60908054) is 2-[4-(2-aminopropyl)-2-chloro-6-methoxyphenoxy]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[4-(2-aminopropyl)-2-chloro-6-methoxyphenoxy]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[4-(2-aminopropyl)-2-chloro-6-methoxyphenoxy]-N-prop-2-ynylacetamide is C#CCNC(=O)COc1c(Cl)cc(CC(C)N)cc1OC.
What is the InChIKey of 2-[4-(2-aminopropyl)-2-chloro-6-methoxyphenoxy]-N-prop-2-ynylacetamide?
The InChIKey is UFQUPRLCUURMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-4-5-18-14(19)9-21-15-12(16)7-11(6-10(2)17)8-13(15)20-3/h1,7-8,10H,5-6,9,17H2,2-3H3,(H,18,19).
What are the key properties of 2-[4-(2-aminopropyl)-2-chloro-6-methoxyphenoxy]-N-prop-2-ynylacetamide?
2-[4-(2-aminopropyl)-2-chloro-6-methoxyphenoxy]-N-prop-2-ynylacetamide has a molecular weight of 310.78 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopropyl)-2-chloro-6-methoxyphenoxy]-N-prop-2-ynylacetamide is sourced from PubChem (CID 60908054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).