[4-amino-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-[tert-butyl(dimethyl)silyl]methanone

C20H34N2O2Si — CID 175373957

IUPAC[4-amino-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-[tert-butyl(dimethyl)silyl]methanone
SMILESCOc1ccc(CN2CC(C(=O)[Si](C)(C)C(C)(C)C)C(C)(N)C2)cc1
InChIInChI=1S/C20H34N2O2Si/c1-19(2,3)25(6,7)18(23)17-13-22(14-20(17,4)21)12-15-8-10-16(24-5)11-9-15/h8-11,17H,12-14,21H2,1-7H3
InChIKeyIJWWMMRLZCQUCM-UHFFFAOYSA-N
MW362.59 g/mol
LogP3.46
Rot. Bonds5

About [4-amino-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-[tert-butyl(dimethyl)silyl]methanone

[4-amino-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-[tert-butyl(dimethyl)silyl]methanone (PubChem CID 175373957) has the molecular formula C20H34N2O2Si and a molecular weight of 362.59 g/mol. Its IUPAC name is [4-amino-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-[tert-butyl(dimethyl)silyl]methanone.

Molecular Properties

Compound Name[4-amino-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-[tert-butyl(dimethyl)silyl]methanone
PubChem CID175373957
Molecular FormulaC20H34N2O2Si
Molecular Weight362.59 g/mol
Exact Mass362.24
IUPAC Name[4-amino-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-[tert-butyl(dimethyl)silyl]methanone
SMILESCOc1ccc(CN2CC(C(=O)[Si](C)(C)C(C)(C)C)C(C)(N)C2)cc1
InChIInChI=1S/C20H34N2O2Si/c1-19(2,3)25(6,7)18(23)17-13-22(14-20(17,4)21)12-15-8-10-16(24-5)11-9-15/h8-11,17H,12-14,21H2,1-7H3
InChIKeyIJWWMMRLZCQUCM-UHFFFAOYSA-N
XLogP3.46
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.59
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R)-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxylic acid
CID 51440155
(3R)-1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol
CID 129349125
1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol
CID 121207278
1-[(4-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide
CID 176930266
(3S,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 46944572
[(4S)-2-[(4-methoxyphenyl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 97451928
(2R)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441017
(2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441015
3-[[5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-1,1-dimethylurea
CID 131677971
5-[(4-methoxyphenyl)methyl]-6a-methyl-3,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole
CID 155315514
5-[(4-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole;2,2,2-trifluoroacetic acid
CID 155854267
tert-butyl 6-[(4-methoxyphenyl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 172639817

Frequently Asked Questions

What is the IUPAC name of [4-amino-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-[tert-butyl(dimethyl)silyl]methanone?
The IUPAC name of [4-amino-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-[tert-butyl(dimethyl)silyl]methanone (CID 175373957) is [4-amino-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-[tert-butyl(dimethyl)silyl]methanone.
What is the SMILES notation for [4-amino-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-[tert-butyl(dimethyl)silyl]methanone?
The canonical SMILES for [4-amino-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-[tert-butyl(dimethyl)silyl]methanone is COc1ccc(CN2CC(C(=O)[Si](C)(C)C(C)(C)C)C(C)(N)C2)cc1.
What is the InChIKey of [4-amino-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-[tert-butyl(dimethyl)silyl]methanone?
The InChIKey is IJWWMMRLZCQUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2Si/c1-19(2,3)25(6,7)18(23)17-13-22(14-20(17,4)21)12-15-8-10-16(24-5)11-9-15/h8-11,17H,12-14,21H2,1-7H3.
What are the key properties of [4-amino-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-[tert-butyl(dimethyl)silyl]methanone?
[4-amino-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-[tert-butyl(dimethyl)silyl]methanone has a molecular weight of 362.59 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-1-[(4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-yl]-[tert-butyl(dimethyl)silyl]methanone is sourced from PubChem (CID 175373957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).