N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-ethoxypropan-1-amine

C18H26N2O — CID 43235432

IUPACN-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNCc1cc(C)n(-c2ccccc2)c1C
InChIInChI=1S/C18H26N2O/c1-4-21-12-8-11-19-14-17-13-15(2)20(16(17)3)18-9-6-5-7-10-18/h5-7,9-10,13,19H,4,8,11-12,14H2,1-3H3
InChIKeyAEVMUSMKZBSEPC-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.61
Rot. Bonds8

About N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-ethoxypropan-1-amine

N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-ethoxypropan-1-amine (PubChem CID 43235432) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-ethoxypropan-1-amine
PubChem CID43235432
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNCc1cc(C)n(-c2ccccc2)c1C
InChIInChI=1S/C18H26N2O/c1-4-21-12-8-11-19-14-17-13-15(2)20(16(17)3)18-9-6-5-7-10-18/h5-7,9-10,13,19H,4,8,11-12,14H2,1-3H3
InChIKeyAEVMUSMKZBSEPC-UHFFFAOYSA-N
XLogP3.61
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-ethoxypropan-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-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-methoxypropan-1-amine
CID 43090159
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62636061
N-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methyl]butan-1-amine
CID 50850582
N-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]butan-1-amine
CID 50850628
1-[4-[(dimethylamino)methyl]phenyl]-N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]methanamine
CID 46946071
3-[(3-ethoxypropylamino)methyl]benzene-1,2-diol
CID 61319480
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-4-methylpentan-2-amine
CID 43371760
2-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylamino]-2-methylbutan-1-ol
CID 64550358
2-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylamino]propanoic acid
CID 61499817
3-ethoxy-N-[(4-methylphenyl)methyl]propan-1-amine
CID 4716360
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]cyclobutanecarboxamide
CID 110642184
N-[[2-[(2-chloro-4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-3-ethoxypropan-1-amine
CID 124826738

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-ethoxypropan-1-amine?
The IUPAC name of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-ethoxypropan-1-amine (CID 43235432) is N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-ethoxypropan-1-amine.
What is the SMILES notation for N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-ethoxypropan-1-amine?
The canonical SMILES for N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-ethoxypropan-1-amine is CCOCCCNCc1cc(C)n(-c2ccccc2)c1C.
What is the InChIKey of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-ethoxypropan-1-amine?
The InChIKey is AEVMUSMKZBSEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-21-12-8-11-19-14-17-13-15(2)20(16(17)3)18-9-6-5-7-10-18/h5-7,9-10,13,19H,4,8,11-12,14H2,1-3H3.
What are the key properties of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-ethoxypropan-1-amine?
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-ethoxypropan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-ethoxypropan-1-amine is sourced from PubChem (CID 43235432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).