5-methyl-2-(3-methylpyrrolidin-1-yl)aniline

C12H18N2 — CID 61227172

IUPAC5-methyl-2-(3-methylpyrrolidin-1-yl)aniline
SMILESCc1ccc(N2CCC(C)C2)c(N)c1
InChIInChI=1S/C12H18N2/c1-9-3-4-12(11(13)7-9)14-6-5-10(2)8-14/h3-4,7,10H,5-6,8,13H2,1-2H3
InChIKeyWFQYHHVDPDBWHR-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.42
Rot. Bonds1

About 5-methyl-2-(3-methylpyrrolidin-1-yl)aniline

5-methyl-2-(3-methylpyrrolidin-1-yl)aniline (PubChem CID 61227172) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 5-methyl-2-(3-methylpyrrolidin-1-yl)aniline.

Molecular Properties

Compound Name5-methyl-2-(3-methylpyrrolidin-1-yl)aniline
PubChem CID61227172
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name5-methyl-2-(3-methylpyrrolidin-1-yl)aniline
SMILESCc1ccc(N2CCC(C)C2)c(N)c1
InChIInChI=1S/C12H18N2/c1-9-3-4-12(11(13)7-9)14-6-5-10(2)8-14/h3-4,7,10H,5-6,8,13H2,1-2H3
InChIKeyWFQYHHVDPDBWHR-UHFFFAOYSA-N
XLogP2.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]aniline
CID 114271751
4-methyl-2-(3-methylazetidin-1-yl)aniline
CID 112557819
1-N,1-N-dimethyl-4-(3-methylpiperidin-1-yl)benzene-1,3-diamine
CID 82021402
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-4-methylaniline
CID 97051035
5-methyl-2-piperazin-1-ylaniline
CID 62137468
5-methyl-2-morpholin-4-ylaniline
CID 18952141
ethyl 3-amino-4-[(3R)-3-methylpiperidin-1-yl]benzoate
CID 86319022
1-(2-amino-4-methylphenyl)-4-methylpiperidin-4-ol
CID 81098277
1-[1-(2-amino-5-methylphenyl)pyrrolidin-3-yl]ethanol
CID 112624192
1-(2-amino-4-bromophenyl)-4-methylpiperidin-3-ol
CID 102955441
2-methyl-3-(3-methylpiperidin-1-yl)aniline
CID 63076229
2-(2-amino-4-methylphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 113361185

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylpyrrolidin-1-yl)aniline?
The IUPAC name of 5-methyl-2-(3-methylpyrrolidin-1-yl)aniline (CID 61227172) is 5-methyl-2-(3-methylpyrrolidin-1-yl)aniline.
What is the SMILES notation for 5-methyl-2-(3-methylpyrrolidin-1-yl)aniline?
The canonical SMILES for 5-methyl-2-(3-methylpyrrolidin-1-yl)aniline is Cc1ccc(N2CCC(C)C2)c(N)c1.
What is the InChIKey of 5-methyl-2-(3-methylpyrrolidin-1-yl)aniline?
The InChIKey is WFQYHHVDPDBWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-3-4-12(11(13)7-9)14-6-5-10(2)8-14/h3-4,7,10H,5-6,8,13H2,1-2H3.
What are the key properties of 5-methyl-2-(3-methylpyrrolidin-1-yl)aniline?
5-methyl-2-(3-methylpyrrolidin-1-yl)aniline has a molecular weight of 190.29 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylpyrrolidin-1-yl)aniline is sourced from PubChem (CID 61227172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).