N-[(1-methylpyrrol-2-yl)methyl]-1-phenylmethanamine

C13H16N2 — CID 2222065

IUPACN-[(1-methylpyrrol-2-yl)methyl]-1-phenylmethanamine
SMILESCn1cccc1CNCc1ccccc1
InChIInChI=1S/C13H16N2/c1-15-9-5-8-13(15)11-14-10-12-6-3-2-4-7-12/h2-9,14H,10-11H2,1H3
InChIKeyRFBDIJWXYJNKSB-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.31
Rot. Bonds4

About N-[(1-methylpyrrol-2-yl)methyl]-1-phenylmethanamine

N-[(1-methylpyrrol-2-yl)methyl]-1-phenylmethanamine (PubChem CID 2222065) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]-1-phenylmethanamine
PubChem CID2222065
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]-1-phenylmethanamine
SMILESCn1cccc1CNCc1ccccc1
InChIInChI=1S/C13H16N2/c1-15-9-5-8-13(15)11-14-10-12-6-3-2-4-7-12/h2-9,14H,10-11H2,1H3
InChIKeyRFBDIJWXYJNKSB-UHFFFAOYSA-N
XLogP2.31
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1-methylpyrrol-2-yl)methyl]-1-phenylmethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-1-phenylmethanamine (CID 2222065) is N-[(1-methylpyrrol-2-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]-1-phenylmethanamine is Cn1cccc1CNCc1ccccc1.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]-1-phenylmethanamine?
The InChIKey is RFBDIJWXYJNKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-15-9-5-8-13(15)11-14-10-12-6-3-2-4-7-12/h2-9,14H,10-11H2,1H3.
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]-1-phenylmethanamine?
N-[(1-methylpyrrol-2-yl)methyl]-1-phenylmethanamine has a molecular weight of 200.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 2222065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).