[2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone

C14H20N2O3 — CID 63753428

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCC2CN)cc1OC
InChIInChI=1S/C14H20N2O3/c1-18-12-6-5-10(8-13(12)19-2)14(17)16-7-3-4-11(16)9-15/h5-6,8,11H,3-4,7,9,15H2,1-2H3
InChIKeyGPHOABWMZOHUGG-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.27
Rot. Bonds4

About [2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone

[2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone (PubChem CID 63753428) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
PubChem CID63753428
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCC2CN)cc1OC
InChIInChI=1S/C14H20N2O3/c1-18-12-6-5-10(8-13(12)19-2)14(17)16-7-3-4-11(16)9-15/h5-6,8,11H,3-4,7,9,15H2,1-2H3
InChIKeyGPHOABWMZOHUGG-UHFFFAOYSA-N
XLogP1.27
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(4-butoxy-3-methoxyphenyl)methanone
CID 119632890
[2-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride
CID 119632145
[2-(aminomethyl)piperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone;hydrochloride
CID 119467821
[2-(aminomethyl)pyrrolidin-1-yl]-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methanone
CID 119634307
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-3,5-dimethoxyphenyl)methanone
CID 119630913
[2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride
CID 119468928
[2-(aminomethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride
CID 119468153
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119630912
[(2R)-2-benzylpyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 32822941
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 28706941
5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 119631942
[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-methoxy-3-phenylphenyl)methanone
CID 124688652

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone (CID 63753428) is [2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)N2CCCC2CN)cc1OC.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone?
The InChIKey is GPHOABWMZOHUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-12-6-5-10(8-13(12)19-2)14(17)16-7-3-4-11(16)9-15/h5-6,8,11H,3-4,7,9,15H2,1-2H3.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone?
[2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone has a molecular weight of 264.32 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 63753428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).