[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone

C20H24N2O2 — CID 119650920

IUPAC[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone
SMILESCNCC1CCCN1C(=O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C20H24N2O2/c1-21-14-18-10-6-12-22(18)20(23)17-9-5-11-19(13-17)24-15-16-7-3-2-4-8-16/h2-5,7-9,11,13,18,21H,6,10,12,14-15H2,1H3
InChIKeyBEWZQETWYYYYTI-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.09
Rot. Bonds6

About [2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone

[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone (PubChem CID 119650920) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is [2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone
PubChem CID119650920
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone
SMILESCNCC1CCCN1C(=O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C20H24N2O2/c1-21-14-18-10-6-12-22(18)20(23)17-9-5-11-19(13-17)24-15-16-7-3-2-4-8-16/h2-5,7-9,11,13,18,21H,6,10,12,14-15H2,1H3
InChIKeyBEWZQETWYYYYTI-UHFFFAOYSA-N
XLogP3.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(3-fluorophenoxy)methyl]phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650326
[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride
CID 119649052
(3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651084
(3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 113285249
[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
CID 119649641
[3-(benzenesulfonylmethyl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119652101
(3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250409
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-phenylmethoxyphenyl)methanone;hydrochloride
CID 119597209
N-benzyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119650431
N-methyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-phenylbenzamide
CID 119650299
[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 81484757
(3,3-dimethylazetidin-1-yl)-(3-phenylmethoxyphenyl)methanone
CID 155462351

Frequently Asked Questions

What is the IUPAC name of [2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone?
The IUPAC name of [2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone (CID 119650920) is [2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone.
What is the SMILES notation for [2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone?
The canonical SMILES for [2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone is CNCC1CCCN1C(=O)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of [2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone?
The InChIKey is BEWZQETWYYYYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-21-14-18-10-6-12-22(18)20(23)17-9-5-11-19(13-17)24-15-16-7-3-2-4-8-16/h2-5,7-9,11,13,18,21H,6,10,12,14-15H2,1H3.
What are the key properties of [2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone?
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone has a molecular weight of 324.42 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 119650920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).