N-[(3,5-dimethoxyphenyl)methyl]pyrrol-1-amine

C13H16N2O2 — CID 79090512

IUPACN-[(3,5-dimethoxyphenyl)methyl]pyrrol-1-amine
SMILESCOc1cc(CNn2cccc2)cc(OC)c1
InChIInChI=1S/C13H16N2O2/c1-16-12-7-11(8-13(9-12)17-2)10-14-15-5-3-4-6-15/h3-9,14H,10H2,1-2H3
InChIKeyJRHOZZVCCWAHCD-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.25
Rot. Bonds5

About N-[(3,5-dimethoxyphenyl)methyl]pyrrol-1-amine

N-[(3,5-dimethoxyphenyl)methyl]pyrrol-1-amine (PubChem CID 79090512) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]pyrrol-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]pyrrol-1-amine
PubChem CID79090512
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]pyrrol-1-amine
SMILESCOc1cc(CNn2cccc2)cc(OC)c1
InChIInChI=1S/C13H16N2O2/c1-16-12-7-11(8-13(9-12)17-2)10-14-15-5-3-4-6-15/h3-9,14H,10H2,1-2H3
InChIKeyJRHOZZVCCWAHCD-UHFFFAOYSA-N
XLogP2.25
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3,5-dimethoxyphenyl)methyl]pyrrol-1-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-[(3-methoxy-5-nitrophenyl)methyl]pyrrol-1-amine
CID 81155058
N-[(3,5-dimethoxyphenyl)methyl]morpholin-4-amine
CID 83011668
1-[4-[[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
CID 101451225
N-[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methyl]-1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methanamine
CID 101451223
1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
CID 101451224
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 775262
1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
(3,5-dimethoxyphenyl)methylcarbamic acid
CID 67370524
N-[(1-ethylpyrrol-3-yl)methyl]pyrrol-1-amine
CID 79091051
N-[(4-iodophenyl)methyl]pyrrol-1-amine
CID 79100924
2-(3-methoxyphenyl)-N-pyrrol-1-ylacetamide
CID 123679557
N-[(2,3,4-trimethoxyphenyl)methyl]pyrrol-1-amine
CID 79090223

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]pyrrol-1-amine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]pyrrol-1-amine (CID 79090512) is N-[(3,5-dimethoxyphenyl)methyl]pyrrol-1-amine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]pyrrol-1-amine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]pyrrol-1-amine is COc1cc(CNn2cccc2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]pyrrol-1-amine?
The InChIKey is JRHOZZVCCWAHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-16-12-7-11(8-13(9-12)17-2)10-14-15-5-3-4-6-15/h3-9,14H,10H2,1-2H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]pyrrol-1-amine?
N-[(3,5-dimethoxyphenyl)methyl]pyrrol-1-amine has a molecular weight of 232.28 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]pyrrol-1-amine is sourced from PubChem (CID 79090512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).