[3-[(dimethylamino)methyl]phenyl]-(3-methoxypyrrolidin-1-yl)methanone

C15H22N2O2 — CID 119073175

IUPAC[3-[(dimethylamino)methyl]phenyl]-(3-methoxypyrrolidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2cccc(CN(C)C)c2)C1
InChIInChI=1S/C15H22N2O2/c1-16(2)10-12-5-4-6-13(9-12)15(18)17-8-7-14(11-17)19-3/h4-6,9,14H,7-8,10-11H2,1-3H3
InChIKeyJBEHEHDSBNOYLL-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.61
Rot. Bonds4

About [3-[(dimethylamino)methyl]phenyl]-(3-methoxypyrrolidin-1-yl)methanone

[3-[(dimethylamino)methyl]phenyl]-(3-methoxypyrrolidin-1-yl)methanone (PubChem CID 119073175) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]phenyl]-(3-methoxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]phenyl]-(3-methoxypyrrolidin-1-yl)methanone
PubChem CID119073175
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[3-[(dimethylamino)methyl]phenyl]-(3-methoxypyrrolidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2cccc(CN(C)C)c2)C1
InChIInChI=1S/C15H22N2O2/c1-16(2)10-12-5-4-6-13(9-12)15(18)17-8-7-14(11-17)19-3/h4-6,9,14H,7-8,10-11H2,1-3H3
InChIKeyJBEHEHDSBNOYLL-UHFFFAOYSA-N
XLogP1.61
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(dimethylamino)methyl]phenyl]-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612772
[3-[(dimethylamino)methyl]phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575046
1-[3-[(dimethylamino)methyl]benzoyl]-1,4-diazepane-6-carboxylic acid
CID 74237686
(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone
CID 122545527
(3-chloro-4-iodophenyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103533788
methyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate
CID 47340246
[(3R)-3-aminopyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119413252
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 121022719
(4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110725293
[3-(2-aminoethyl)phenyl]-(4-ethoxypiperidin-1-yl)methanone
CID 62594027
(3S,4S)-1-[3-[(dimethylamino)methyl]benzoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120963584
methyl N-[3-(3-methoxypiperidine-1-carbonyl)phenyl]carbamate
CID 75369442

Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]phenyl]-(3-methoxypyrrolidin-1-yl)methanone?
The IUPAC name of [3-[(dimethylamino)methyl]phenyl]-(3-methoxypyrrolidin-1-yl)methanone (CID 119073175) is [3-[(dimethylamino)methyl]phenyl]-(3-methoxypyrrolidin-1-yl)methanone.
What is the SMILES notation for [3-[(dimethylamino)methyl]phenyl]-(3-methoxypyrrolidin-1-yl)methanone?
The canonical SMILES for [3-[(dimethylamino)methyl]phenyl]-(3-methoxypyrrolidin-1-yl)methanone is COC1CCN(C(=O)c2cccc(CN(C)C)c2)C1.
What is the InChIKey of [3-[(dimethylamino)methyl]phenyl]-(3-methoxypyrrolidin-1-yl)methanone?
The InChIKey is JBEHEHDSBNOYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-16(2)10-12-5-4-6-13(9-12)15(18)17-8-7-14(11-17)19-3/h4-6,9,14H,7-8,10-11H2,1-3H3.
What are the key properties of [3-[(dimethylamino)methyl]phenyl]-(3-methoxypyrrolidin-1-yl)methanone?
[3-[(dimethylamino)methyl]phenyl]-(3-methoxypyrrolidin-1-yl)methanone has a molecular weight of 262.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]phenyl]-(3-methoxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 119073175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).