2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(3-methoxypropyl)acetamide

C14H21ClN2O4 — CID 61486427

IUPAC2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1c(Cl)cc(CN)cc1OC
InChIInChI=1S/C14H21ClN2O4/c1-19-5-3-4-17-13(18)9-21-14-11(15)6-10(8-16)7-12(14)20-2/h6-7H,3-5,8-9,16H2,1-2H3,(H,17,18)
InChIKeyQSNJPXIZFVLQCR-UHFFFAOYSA-N
MW316.79 g/mol
LogP1.34
Rot. Bonds9

About 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(3-methoxypropyl)acetamide

2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(3-methoxypropyl)acetamide (PubChem CID 61486427) has the molecular formula C14H21ClN2O4 and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(3-methoxypropyl)acetamide
PubChem CID61486427
Molecular FormulaC14H21ClN2O4
Molecular Weight316.79 g/mol
Exact Mass316.12
IUPAC Name2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1c(Cl)cc(CN)cc1OC
InChIInChI=1S/C14H21ClN2O4/c1-19-5-3-4-17-13(18)9-21-14-11(15)6-10(8-16)7-12(14)20-2/h6-7H,3-5,8-9,16H2,1-2H3,(H,17,18)
InChIKeyQSNJPXIZFVLQCR-UHFFFAOYSA-N
XLogP1.34
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61487525
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-carbamoylacetamide
CID 28966876
3-chloro-5-methoxy-4-[2-(2-methoxyethylamino)-2-oxoethoxy]benzoic acid
CID 61487582
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 43589731
1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988428
[3-chloro-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]methanamine
CID 60880536
[3-chloro-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine
CID 60880538
methyl 2-[4-(2-aminoethyl)-2-chloro-6-methoxyphenoxy]acetate
CID 54931047
2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide
CID 28898320
[3,5-dimethoxy-4-(4-methoxybutoxy)phenyl]methanamine
CID 104646966
2-(2,3-dimethoxyphenoxy)-N-(3-methoxypropyl)acetamide
CID 112978341
2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-butylacetamide
CID 107741383

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(3-methoxypropyl)acetamide (CID 61486427) is 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)COc1c(Cl)cc(CN)cc1OC.
What is the InChIKey of 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(3-methoxypropyl)acetamide?
The InChIKey is QSNJPXIZFVLQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O4/c1-19-5-3-4-17-13(18)9-21-14-11(15)6-10(8-16)7-12(14)20-2/h6-7H,3-5,8-9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(3-methoxypropyl)acetamide?
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(3-methoxypropyl)acetamide has a molecular weight of 316.79 g/mol, XLogP of 1.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 61486427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).