(2-amino-6-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone

C13H18N2O2 — CID 81420432

IUPAC(2-amino-6-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCOc1cccc(N)c1C(=O)N1CCCC1C
InChIInChI=1S/C13H18N2O2/c1-9-5-4-8-15(9)13(16)12-10(14)6-3-7-11(12)17-2/h3,6-7,9H,4-5,8,14H2,1-2H3
InChIKeyMCOULBVYORZCHI-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.90
Rot. Bonds2

About (2-amino-6-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone

(2-amino-6-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 81420432) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2-amino-6-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
PubChem CID81420432
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2-amino-6-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCOc1cccc(N)c1C(=O)N1CCCC1C
InChIInChI=1S/C13H18N2O2/c1-9-5-4-8-15(9)13(16)12-10(14)6-3-7-11(12)17-2/h3,6-7,9H,4-5,8,14H2,1-2H3
InChIKeyMCOULBVYORZCHI-UHFFFAOYSA-N
XLogP1.90
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.90
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

(2,6-dimethoxyphenyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 142809150
(2-amino-6-methoxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 81420870
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(2-amino-6-methoxyphenyl)methanone
CID 81421142
(2S)-1-(2,6-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 42256587
1-(2-amino-6-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103194108
(3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40788930
(2,6-dimethoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82755447
2-[1-(2,6-dimethoxybenzoyl)pyrrolidin-2-yl]acetic acid
CID 61371256
2-[1-(2-amino-6-methoxybenzoyl)piperidin-4-yl]acetamide
CID 81394842
(2-amino-6-ethoxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 81420836
(2-amino-6-methoxyphenyl)-(3-ethylmorpholin-4-yl)methanone
CID 81420429
(2-amino-6-methoxyphenyl)-(1,4-thiazepan-4-yl)methanone
CID 81420652

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-amino-6-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone (CID 81420432) is (2-amino-6-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-amino-6-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-amino-6-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone is COc1cccc(N)c1C(=O)N1CCCC1C.
What is the InChIKey of (2-amino-6-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is MCOULBVYORZCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-5-4-8-15(9)13(16)12-10(14)6-3-7-11(12)17-2/h3,6-7,9H,4-5,8,14H2,1-2H3.
What are the key properties of (2-amino-6-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone?
(2-amino-6-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 234.30 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 81420432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).