2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(3-chlorophenoxy)ethyl]acetamide

C16H24ClN3O2 — CID 120771441

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(3-chlorophenoxy)ethyl]acetamide
SMILESCC1(CN)CCN(CC(=O)NCCOc2cccc(Cl)c2)C1
InChIInChI=1S/C16H24ClN3O2/c1-16(11-18)5-7-20(12-16)10-15(21)19-6-8-22-14-4-2-3-13(17)9-14/h2-4,9H,5-8,10-12,18H2,1H3,(H,19,21)
InChIKeyVNOZSFYJMTXRNP-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.51
Rot. Bonds7

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(3-chlorophenoxy)ethyl]acetamide

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(3-chlorophenoxy)ethyl]acetamide (PubChem CID 120771441) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(3-chlorophenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(3-chlorophenoxy)ethyl]acetamide
PubChem CID120771441
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(3-chlorophenoxy)ethyl]acetamide
SMILESCC1(CN)CCN(CC(=O)NCCOc2cccc(Cl)c2)C1
InChIInChI=1S/C16H24ClN3O2/c1-16(11-18)5-7-20(12-16)10-15(21)19-6-8-22-14-4-2-3-13(17)9-14/h2-4,9H,5-8,10-12,18H2,1H3,(H,19,21)
InChIKeyVNOZSFYJMTXRNP-UHFFFAOYSA-N
XLogP1.51
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120773591
N-[2-(3-chlorophenoxy)ethyl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 87013909
2-amino-N-[2-(3-chlorophenoxy)ethyl]acetamide;hydrochloride
CID 119295694
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(3-chlorophenoxy)ethanone;hydrochloride
CID 120805062
N-[2-(3-chlorophenoxy)ethyl]-2-(4-cyclohexyloxypiperidin-1-yl)acetamide
CID 86873849
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride
CID 120771662
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide;hydrochloride
CID 120773664
1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopropane-1-carboxamide
CID 119734966
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzylacetamide
CID 120772947
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 120771375

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(3-chlorophenoxy)ethyl]acetamide?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(3-chlorophenoxy)ethyl]acetamide (CID 120771441) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(3-chlorophenoxy)ethyl]acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(3-chlorophenoxy)ethyl]acetamide?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(3-chlorophenoxy)ethyl]acetamide is CC1(CN)CCN(CC(=O)NCCOc2cccc(Cl)c2)C1.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(3-chlorophenoxy)ethyl]acetamide?
The InChIKey is VNOZSFYJMTXRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-16(11-18)5-7-20(12-16)10-15(21)19-6-8-22-14-4-2-3-13(17)9-14/h2-4,9H,5-8,10-12,18H2,1H3,(H,19,21).
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(3-chlorophenoxy)ethyl]acetamide?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(3-chlorophenoxy)ethyl]acetamide has a molecular weight of 325.84 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(3-chlorophenoxy)ethyl]acetamide is sourced from PubChem (CID 120771441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).