N-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-pyrrol-2-amine

C13H17N3 — CID 115212707

IUPACN-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-pyrrol-2-amine
SMILESCNc1ccc(CN(C)c2ccc[nH]2)cc1
InChIInChI=1S/C13H17N3/c1-14-12-7-5-11(6-8-12)10-16(2)13-4-3-9-15-13/h3-9,14-15H,10H2,1-2H3
InChIKeyZUCZLHONQJDKBJ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.69
Rot. Bonds4

About N-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-pyrrol-2-amine

N-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-pyrrol-2-amine (PubChem CID 115212707) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-pyrrol-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-pyrrol-2-amine
PubChem CID115212707
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-pyrrol-2-amine
SMILESCNc1ccc(CN(C)c2ccc[nH]2)cc1
InChIInChI=1S/C13H17N3/c1-14-12-7-5-11(6-8-12)10-16(2)13-4-3-9-15-13/h3-9,14-15H,10H2,1-2H3
InChIKeyZUCZLHONQJDKBJ-UHFFFAOYSA-N
XLogP2.69
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-pyrrol-2-amine 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

N-methyl-N-[[3-(methylamino)phenyl]methyl]-1H-pyrrol-2-amine
CID 115212150
4-[(4-fluoro-N-methylanilino)methyl]-N-methylaniline
CID 115212690
4-[(dimethylamino)methyl]-N-methylaniline
CID 59619039
4-[(4-chloro-N-methylanilino)methyl]-N-methylaniline
CID 115212691
1-N,4-N-dimethyl-4-N-[2-(1H-pyrrol-2-yl)ethyl]benzene-1,4-diamine
CID 117041478
4-[(4-methoxy-N-methylanilino)methyl]-N-methylaniline
CID 115212693
2-[methyl(1H-pyrrol-2-yl)amino]acetonitrile
CID 115130858
N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline
CID 15735
3-[methyl(1H-pyrrol-2-yl)amino]-3-oxopropanoic acid
CID 115163315
[4-chloro-2-[methyl-[[4-(methylamino)phenyl]methyl]amino]phenyl] thiohypochlorite
CID 126669993
N-[(3-aminocyclobutyl)methyl]-N-methyl-1H-pyrrol-2-amine
CID 115213951
N-[(4-fluorophenyl)methyl]-N-methyl-4-(methylamino)benzenesulfonamide
CID 61413510

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-pyrrol-2-amine?
The IUPAC name of N-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-pyrrol-2-amine (CID 115212707) is N-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-pyrrol-2-amine.
What is the SMILES notation for N-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-pyrrol-2-amine?
The canonical SMILES for N-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-pyrrol-2-amine is CNc1ccc(CN(C)c2ccc[nH]2)cc1.
What is the InChIKey of N-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-pyrrol-2-amine?
The InChIKey is ZUCZLHONQJDKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-14-12-7-5-11(6-8-12)10-16(2)13-4-3-9-15-13/h3-9,14-15H,10H2,1-2H3.
What are the key properties of N-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-pyrrol-2-amine?
N-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-pyrrol-2-amine has a molecular weight of 215.30 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-pyrrol-2-amine is sourced from PubChem (CID 115212707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).