(3-amino-4-methylphenyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

C19H22N2O2 — CID 86780197

IUPAC(3-amino-4-methylphenyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C2CCN(C(=O)c3ccc(C)c(N)c3)C2)cc1
InChIInChI=1S/C19H22N2O2/c1-13-3-4-15(11-18(13)20)19(22)21-10-9-16(12-21)14-5-7-17(23-2)8-6-14/h3-8,11,16H,9-10,12,20H2,1-2H3
InChIKeyCXWHKLSVUUHUMV-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.22
Rot. Bonds3

About (3-amino-4-methylphenyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

(3-amino-4-methylphenyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 86780197) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (3-amino-4-methylphenyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-4-methylphenyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID86780197
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(3-amino-4-methylphenyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C2CCN(C(=O)c3ccc(C)c(N)c3)C2)cc1
InChIInChI=1S/C19H22N2O2/c1-13-3-4-15(11-18(13)20)19(22)21-10-9-16(12-21)14-5-7-17(23-2)8-6-14/h3-8,11,16H,9-10,12,20H2,1-2H3
InChIKeyCXWHKLSVUUHUMV-UHFFFAOYSA-N
XLogP3.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-3-nitrophenyl)-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 125145767
[3-(4-methoxyphenyl)azepan-1-yl]-naphthalen-2-ylmethanone
CID 121146989
[3-(4-methoxyphenyl)azepan-1-yl]-(4-methylphenyl)methanone
CID 121146944
(3-amino-4-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372645
2-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055956
(2,5-dimethylfuran-3-yl)-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480756
methyl 1-(3-amino-4-methylbenzoyl)piperidine-3-carboxylate
CID 110488213
(3-amino-4-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 16789345
(4-bromophenyl)-[(3R)-3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 99883377
(3-amino-4-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62091781
(2S)-2-amino-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 119313373
(3-amino-4-methylphenyl)-[(3R,4S)-4-(4-bromophenyl)-3-methylpiperidin-1-yl]methanone
CID 118144100

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylphenyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-amino-4-methylphenyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 86780197) is (3-amino-4-methylphenyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-amino-4-methylphenyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-amino-4-methylphenyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is COc1ccc(C2CCN(C(=O)c3ccc(C)c(N)c3)C2)cc1.
What is the InChIKey of (3-amino-4-methylphenyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is CXWHKLSVUUHUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13-3-4-15(11-18(13)20)19(22)21-10-9-16(12-21)14-5-7-17(23-2)8-6-14/h3-8,11,16H,9-10,12,20H2,1-2H3.
What are the key properties of (3-amino-4-methylphenyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
(3-amino-4-methylphenyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 310.40 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylphenyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 86780197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).