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

C12H18N2 — CID 82279453

IUPAC2-methyl-5-(1-methylpyrrolidin-2-yl)aniline
SMILESCc1ccc(C2CCCN2C)cc1N
InChIInChI=1S/C12H18N2/c1-9-5-6-10(8-11(9)13)12-4-3-7-14(12)2/h5-6,8,12H,3-4,7,13H2,1-2H3
InChIKeyIHAANSYMDGDGRV-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.34
Rot. Bonds1

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

2-methyl-5-(1-methylpyrrolidin-2-yl)aniline (PubChem CID 82279453) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-methyl-5-(1-methylpyrrolidin-2-yl)aniline.

Molecular Properties

Compound Name2-methyl-5-(1-methylpyrrolidin-2-yl)aniline
PubChem CID82279453
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-methyl-5-(1-methylpyrrolidin-2-yl)aniline
SMILESCc1ccc(C2CCCN2C)cc1N
InChIInChI=1S/C12H18N2/c1-9-5-6-10(8-11(9)13)12-4-3-7-14(12)2/h5-6,8,12H,3-4,7,13H2,1-2H3
InChIKeyIHAANSYMDGDGRV-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
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

2-fluoro-5-(1-methylpyrrolidin-2-yl)aniline
CID 82279455
4-methyl-3-(1-methylpyrrolidin-2-yl)benzene-1,2-diamine
CID 23386065
(2S)-1-methyl-2-(3-methylphenyl)pyrrolidine
CID 102036806
2-methyl-5-(1-methylpyrrolidin-2-yl)pyridine
CID 5020711
2-(2,5-dimethylphenyl)-1-methylpyrrolidine;ethane
CID 90801610
(2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine
CID 92850085
(2R)-1-methyl-2-(4-propan-2-ylphenyl)pyrrolidine
CID 134254909
5-(1-methylpyrrolidin-2-yl)pyridin-3-amine
CID 22336401
2-ethenyl-6-(1-methylpyrrolidin-2-yl)-1H-indole
CID 170388402
2-(3,5-ditert-butylphenyl)-1-methylpyrrolidine
CID 102300432
2-methyl-5-(4-methylcyclohexyl)aniline
CID 22895075
3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one
CID 129370302

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-methylpyrrolidin-2-yl)aniline?
The IUPAC name of 2-methyl-5-(1-methylpyrrolidin-2-yl)aniline (CID 82279453) is 2-methyl-5-(1-methylpyrrolidin-2-yl)aniline.
What is the SMILES notation for 2-methyl-5-(1-methylpyrrolidin-2-yl)aniline?
The canonical SMILES for 2-methyl-5-(1-methylpyrrolidin-2-yl)aniline is Cc1ccc(C2CCCN2C)cc1N.
What is the InChIKey of 2-methyl-5-(1-methylpyrrolidin-2-yl)aniline?
The InChIKey is IHAANSYMDGDGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-5-6-10(8-11(9)13)12-4-3-7-14(12)2/h5-6,8,12H,3-4,7,13H2,1-2H3.
What are the key properties of 2-methyl-5-(1-methylpyrrolidin-2-yl)aniline?
2-methyl-5-(1-methylpyrrolidin-2-yl)aniline has a molecular weight of 190.29 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-methylpyrrolidin-2-yl)aniline is sourced from PubChem (CID 82279453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).