N,N-dimethyl-1-phenylmethanamine;1H-pyrrole

C13H18N2 — CID 162180373

IUPACN,N-dimethyl-1-phenylmethanamine;1H-pyrrole
SMILESCN(C)Cc1ccccc1.c1cc[nH]c1
InChIInChI=1S/C9H13N.C4H5N/c1-10(2)8-9-6-4-3-5-7-9;1-2-4-5-3-1/h3-7H,8H2,1-2H3;1-5H
InChIKeyZOYBALIRVBMVCN-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.76
Rot. Bonds2

About N,N-dimethyl-1-phenylmethanamine;1H-pyrrole

N,N-dimethyl-1-phenylmethanamine;1H-pyrrole (PubChem CID 162180373) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N,N-dimethyl-1-phenylmethanamine;1H-pyrrole.

Molecular Properties

Compound NameN,N-dimethyl-1-phenylmethanamine;1H-pyrrole
PubChem CID162180373
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN,N-dimethyl-1-phenylmethanamine;1H-pyrrole
SMILESCN(C)Cc1ccccc1.c1cc[nH]c1
InChIInChI=1S/C9H13N.C4H5N/c1-10(2)8-9-6-4-3-5-7-9;1-2-4-5-3-1/h3-7H,8H2,1-2H3;1-5H
InChIKeyZOYBALIRVBMVCN-UHFFFAOYSA-N
XLogP2.76
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N,N-dimethyl-1-phenylmethanamine;1H-pyrrole 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,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520
N,N-dimethyl-1-phenylmethanamine;phosphane
CID 174524909
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
CID 172854351
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154
N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride
CID 71592559
N,N-dimethyl-1-phenylmethanamine;ethane;N-methylmethanamine
CID 91426963
carbonic acid;N,N-dimethyl-1-phenylmethanamine
CID 69138278
N-benzyl-1-deuterio-N-methylmethanamine;hydrochloride
CID 155774731
N,N-dimethyl-1-phenylmethanamine;N-ethyl-N-methylethanamine
CID 154948707
N,N-dimethyl-1-phenylmethanamine;2-methyl-1H-imidazole
CID 19938699
1-benzyl-1,2,2-trimethylhydrazine
CID 23468062
N,N-dimethyl-1-phenylmethanamine;ethyl-hydroxy-dimethylazanium
CID 173434737

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenylmethanamine;1H-pyrrole?
The IUPAC name of N,N-dimethyl-1-phenylmethanamine;1H-pyrrole (CID 162180373) is N,N-dimethyl-1-phenylmethanamine;1H-pyrrole.
What is the SMILES notation for N,N-dimethyl-1-phenylmethanamine;1H-pyrrole?
The canonical SMILES for N,N-dimethyl-1-phenylmethanamine;1H-pyrrole is CN(C)Cc1ccccc1.c1cc[nH]c1.
What is the InChIKey of N,N-dimethyl-1-phenylmethanamine;1H-pyrrole?
The InChIKey is ZOYBALIRVBMVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C4H5N/c1-10(2)8-9-6-4-3-5-7-9;1-2-4-5-3-1/h3-7H,8H2,1-2H3;1-5H.
What are the key properties of N,N-dimethyl-1-phenylmethanamine;1H-pyrrole?
N,N-dimethyl-1-phenylmethanamine;1H-pyrrole has a molecular weight of 202.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenylmethanamine;1H-pyrrole is sourced from PubChem (CID 162180373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).