2,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline

C14H22N2 — CID 83962534

IUPAC2,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
SMILESCc1ccc(C)c(NCC2CCCN2C)c1
InChIInChI=1S/C14H22N2/c1-11-6-7-12(2)14(9-11)15-10-13-5-4-8-16(13)3/h6-7,9,13,15H,4-5,8,10H2,1-3H3
InChIKeyCLPGEEGWYQDFGK-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.81
Rot. Bonds3

About 2,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline

2,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline (PubChem CID 83962534) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
PubChem CID83962534
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
SMILESCc1ccc(C)c(NCC2CCCN2C)c1
InChIInChI=1S/C14H22N2/c1-11-6-7-12(2)14(9-11)15-10-13-5-4-8-16(13)3/h6-7,9,13,15H,4-5,8,10H2,1-3H3
InChIKeyCLPGEEGWYQDFGK-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-3-[(1-methylpiperidin-2-yl)methylamino]benzonitrile
CID 62658328
2-methoxy-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62659446
N,N,4-trimethyl-3-[(1-methylpiperidin-2-yl)methylamino]benzamide
CID 62656532
4-iodo-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 55099801
2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5-(tetrazol-1-yl)aniline
CID 62654359
4-N,4-N-diethyl-2-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]benzene-1,4-diamine
CID 112720401
2,5-difluoro-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83953736
7-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106026994
2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]phenol
CID 107700090
N-[(2-bromo-4-methylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103844959
2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83950521
N-[(3,4-dimethylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103626307

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The IUPAC name of 2,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline (CID 83962534) is 2,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline.
What is the SMILES notation for 2,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The canonical SMILES for 2,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline is Cc1ccc(C)c(NCC2CCCN2C)c1.
What is the InChIKey of 2,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The InChIKey is CLPGEEGWYQDFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-6-7-12(2)14(9-11)15-10-13-5-4-8-16(13)3/h6-7,9,13,15H,4-5,8,10H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
2,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline has a molecular weight of 218.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline is sourced from PubChem (CID 83962534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).