2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine

C16H22N2 — CID 39347093

IUPAC2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine
SMILESCc1ccc(-n2c(C)cc(CCN)c2C)cc1C
InChIInChI=1S/C16H22N2/c1-11-5-6-16(9-12(11)2)18-13(3)10-15(7-8-17)14(18)4/h5-6,9-10H,7-8,17H2,1-4H3
InChIKeyHBUCXLMZSBGWEK-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.21
Rot. Bonds3

About 2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine

2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine (PubChem CID 39347093) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine
PubChem CID39347093
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine
SMILESCc1ccc(-n2c(C)cc(CCN)c2C)cc1C
InChIInChI=1S/C16H22N2/c1-11-5-6-16(9-12(11)2)18-13(3)10-15(7-8-17)14(18)4/h5-6,9-10H,7-8,17H2,1-4H3
InChIKeyHBUCXLMZSBGWEK-UHFFFAOYSA-N
XLogP3.21
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine 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

2-[1-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine
CID 39379121
2-[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine
CID 39373267
[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methanamine
CID 20983273
2-[3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine
CID 82487047
2-[1-(3-chloro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]acetic acid
CID 3039305
2-[1-(3-chloro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]acetonitrile
CID 12951933
[[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]urea
CID 878182
2-[2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine
CID 63815380
[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methanol
CID 900416
3-(2-aminoethyl)-4-methylaniline
CID 83384141
2-(2,4,5-trimethylphenyl)ethanamine;hydrochloride
CID 54602364
(E)-1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-morpholin-4-ylmethanimine
CID 42992288

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine?
The IUPAC name of 2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine (CID 39347093) is 2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine is Cc1ccc(-n2c(C)cc(CCN)c2C)cc1C.
What is the InChIKey of 2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine?
The InChIKey is HBUCXLMZSBGWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-11-5-6-16(9-12(11)2)18-13(3)10-15(7-8-17)14(18)4/h5-6,9-10H,7-8,17H2,1-4H3.
What are the key properties of 2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine?
2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine has a molecular weight of 242.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine is sourced from PubChem (CID 39347093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).