N-(furan-2-ylmethyl)-1-[1-(4-methylphenyl)pyrrol-2-yl]methanamine

C17H18N2O — CID 50850395

IUPACN-(furan-2-ylmethyl)-1-[1-(4-methylphenyl)pyrrol-2-yl]methanamine
SMILESCc1ccc(-n2cccc2CNCc2ccco2)cc1
InChIInChI=1S/C17H18N2O/c1-14-6-8-15(9-7-14)19-10-2-4-16(19)12-18-13-17-5-3-11-20-17/h2-11,18H,12-13H2,1H3
InChIKeyDYYUNNIEIVSECH-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.67
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-[1-(4-methylphenyl)pyrrol-2-yl]methanamine

N-(furan-2-ylmethyl)-1-[1-(4-methylphenyl)pyrrol-2-yl]methanamine (PubChem CID 50850395) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[1-(4-methylphenyl)pyrrol-2-yl]methanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[1-(4-methylphenyl)pyrrol-2-yl]methanamine
PubChem CID50850395
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-(furan-2-ylmethyl)-1-[1-(4-methylphenyl)pyrrol-2-yl]methanamine
SMILESCc1ccc(-n2cccc2CNCc2ccco2)cc1
InChIInChI=1S/C17H18N2O/c1-14-6-8-15(9-7-14)19-10-2-4-16(19)12-18-13-17-5-3-11-20-17/h2-11,18H,12-13H2,1H3
InChIKeyDYYUNNIEIVSECH-UHFFFAOYSA-N
XLogP3.67
TPSA30.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(furan-2-ylmethyl)-1-[1-(4-methylphenyl)pyrrol-2-yl]methanamine 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-(furan-2-ylmethyl)-1-[1-(4-methylphenyl)pyrrol-2-yl]methanamine?
The IUPAC name of N-(furan-2-ylmethyl)-1-[1-(4-methylphenyl)pyrrol-2-yl]methanamine (CID 50850395) is N-(furan-2-ylmethyl)-1-[1-(4-methylphenyl)pyrrol-2-yl]methanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[1-(4-methylphenyl)pyrrol-2-yl]methanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[1-(4-methylphenyl)pyrrol-2-yl]methanamine is Cc1ccc(-n2cccc2CNCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[1-(4-methylphenyl)pyrrol-2-yl]methanamine?
The InChIKey is DYYUNNIEIVSECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-14-6-8-15(9-7-14)19-10-2-4-16(19)12-18-13-17-5-3-11-20-17/h2-11,18H,12-13H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-1-[1-(4-methylphenyl)pyrrol-2-yl]methanamine?
N-(furan-2-ylmethyl)-1-[1-(4-methylphenyl)pyrrol-2-yl]methanamine has a molecular weight of 266.34 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[1-(4-methylphenyl)pyrrol-2-yl]methanamine is sourced from PubChem (CID 50850395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).