3-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline

C13H16N2 — CID 66399139

IUPAC3-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline
SMILESCc1cccc(NCc2ccn(C)c2)c1
InChIInChI=1S/C13H16N2/c1-11-4-3-5-13(8-11)14-9-12-6-7-15(2)10-12/h3-8,10,14H,9H2,1-2H3
InChIKeyRIRKUGFORSKUPA-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.95
Rot. Bonds3

About 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline

3-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline (PubChem CID 66399139) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline.

Molecular Properties

Compound Name3-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline
PubChem CID66399139
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name3-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline
SMILESCc1cccc(NCc2ccn(C)c2)c1
InChIInChI=1S/C13H16N2/c1-11-4-3-5-13(8-11)14-9-12-6-7-15(2)10-12/h3-8,10,14H,9H2,1-2H3
InChIKeyRIRKUGFORSKUPA-UHFFFAOYSA-N
XLogP2.95
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 66399550
3-(diethylaminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 66398542
N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethoxy)aniline
CID 66398939
N-methyl-3-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide
CID 66399790
N-[(1-methylpyrrol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 66398115
3-bromo-4-fluoro-N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 115909478
N-[(1-methylpyrrol-3-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 66397871
N-[(4-chlorophenyl)methyl]-3-methylaniline
CID 15533172
N-cyclopropyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide
CID 66399986
3-methyl-N-[(4-propylphenyl)methyl]aniline
CID 94687555
N,2-dimethyl-5-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide
CID 66400218
3-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 103437428

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline?
The IUPAC name of 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline (CID 66399139) is 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline.
What is the SMILES notation for 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline?
The canonical SMILES for 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline is Cc1cccc(NCc2ccn(C)c2)c1.
What is the InChIKey of 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline?
The InChIKey is RIRKUGFORSKUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-11-4-3-5-13(8-11)14-9-12-6-7-15(2)10-12/h3-8,10,14H,9H2,1-2H3.
What are the key properties of 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline?
3-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline has a molecular weight of 200.28 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline is sourced from PubChem (CID 66399139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).