N-[3-(aminomethyl)phenyl]-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide

C15H23N3O3 — CID 103531213

IUPACN-[3-(aminomethyl)phenyl]-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide
SMILESCOC1CN(CC(=O)Nc2cccc(CN)c2)CC1OC
InChIInChI=1S/C15H23N3O3/c1-20-13-8-18(9-14(13)21-2)10-15(19)17-12-5-3-4-11(6-12)7-16/h3-6,13-14H,7-10,16H2,1-2H3,(H,17,19)
InChIKeyOHKSDTLPXILJRG-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.43
Rot. Bonds6

About N-[3-(aminomethyl)phenyl]-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide

N-[3-(aminomethyl)phenyl]-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide (PubChem CID 103531213) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide
PubChem CID103531213
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[3-(aminomethyl)phenyl]-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide
SMILESCOC1CN(CC(=O)Nc2cccc(CN)c2)CC1OC
InChIInChI=1S/C15H23N3O3/c1-20-13-8-18(9-14(13)21-2)10-15(19)17-12-5-3-4-11(6-12)7-16/h3-6,13-14H,7-10,16H2,1-2H3,(H,17,19)
InChIKeyOHKSDTLPXILJRG-UHFFFAOYSA-N
XLogP0.43
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(aminomethyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 16779298
N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 16786515
N-[3-(aminomethyl)phenyl]-2-morpholin-4-ylacetamide
CID 16779234
N-[3-(aminomethyl)phenyl]-2-(4-cyclopropylpiperazin-1-yl)acetamide
CID 61440797
N-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide
CID 102961731
N-[3-(aminomethyl)phenyl]-3-(3-methoxypiperidin-1-yl)propanamide
CID 102956603
N-[3-(aminomethyl)phenyl]-2-methylsulfanylacetamide
CID 63254431
N-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 16779184
2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide
CID 62067698
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-[3-(aminomethyl)phenyl]propanamide
CID 115559140
N-[3-(aminomethyl)phenyl]-2-(5-ethyl-2-methylmorpholin-4-yl)acetamide
CID 43575815
N-[3-(aminomethyl)phenyl]-3-methylsulfanylpropanamide
CID 63254387

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide (CID 103531213) is N-[3-(aminomethyl)phenyl]-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide is COC1CN(CC(=O)Nc2cccc(CN)c2)CC1OC.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide?
The InChIKey is OHKSDTLPXILJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-20-13-8-18(9-14(13)21-2)10-15(19)17-12-5-3-4-11(6-12)7-16/h3-6,13-14H,7-10,16H2,1-2H3,(H,17,19).
What are the key properties of N-[3-(aminomethyl)phenyl]-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide?
N-[3-(aminomethyl)phenyl]-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide has a molecular weight of 293.37 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide is sourced from PubChem (CID 103531213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).