2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-5-methoxyaniline

C13H20N2O — CID 40802818

IUPAC2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-5-methoxyaniline
SMILESCOc1ccc(N2[C@H](C)CC[C@H]2C)c(N)c1
InChIInChI=1S/C13H20N2O/c1-9-4-5-10(2)15(9)13-7-6-11(16-3)8-12(13)14/h6-10H,4-5,14H2,1-3H3/t9-,10-/m1/s1
InChIKeyJBSKFSZPSJOLHU-NXEZZACHSA-N
MW220.32 g/mol
LogP2.65
Rot. Bonds2

About 2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-5-methoxyaniline

2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-5-methoxyaniline (PubChem CID 40802818) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-5-methoxyaniline.

Molecular Properties

Compound Name2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-5-methoxyaniline
PubChem CID40802818
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-5-methoxyaniline
SMILESCOc1ccc(N2[C@H](C)CC[C@H]2C)c(N)c1
InChIInChI=1S/C13H20N2O/c1-9-4-5-10(2)15(9)13-7-6-11(16-3)8-12(13)14/h6-10H,4-5,14H2,1-3H3/t9-,10-/m1/s1
InChIKeyJBSKFSZPSJOLHU-NXEZZACHSA-N
XLogP2.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-4-methoxyphenyl)azetidin-2-one
CID 107342099
2-(3-ethylazetidin-1-yl)-5-methoxyaniline
CID 79688157
3-(2-amino-4-methoxyphenyl)imidazolidine-2,4-dione
CID 107841907
1-[1-(2-amino-4-methoxyphenyl)piperidin-4-yl]imidazolidin-2-one
CID 89310720
5-methoxy-2-methyl-2,3-dihydroindol-1-amine
CID 154110611
2-(4-chloroimidazol-1-yl)-5-methoxyaniline
CID 174637805
2-(5-cyclohexyltetrazol-1-yl)-5-methoxyaniline
CID 62075867
7-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-1-amine
CID 105472893
2-amino-N-(2,6-dimethylpiperidin-1-yl)-4-methoxybenzamide
CID 83021113
2-(2,2-dimethylcyclopropyl)-5-methoxyaniline
CID 121014201
5-[(4-methoxyphenyl)methoxy]-2-(3-methylpiperidin-1-yl)aniline
CID 166450828
(2R,5R)-1-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-2,5-dimethylpyrrolidine
CID 69028967

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-5-methoxyaniline?
The IUPAC name of 2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-5-methoxyaniline (CID 40802818) is 2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-5-methoxyaniline.
What is the SMILES notation for 2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-5-methoxyaniline?
The canonical SMILES for 2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-5-methoxyaniline is COc1ccc(N2[C@H](C)CC[C@H]2C)c(N)c1.
What is the InChIKey of 2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-5-methoxyaniline?
The InChIKey is JBSKFSZPSJOLHU-NXEZZACHSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-4-5-10(2)15(9)13-7-6-11(16-3)8-12(13)14/h6-10H,4-5,14H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of 2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-5-methoxyaniline?
2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-5-methoxyaniline has a molecular weight of 220.32 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-5-methoxyaniline is sourced from PubChem (CID 40802818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).