3-methyl-3-(2-phenylethyl)-1,2-dihydropyrrol-5-amine

C13H18N2 — CID 141332969

IUPAC3-methyl-3-(2-phenylethyl)-1,2-dihydropyrrol-5-amine
SMILESCC1(CCc2ccccc2)C=C(N)NC1
InChIInChI=1S/C13H18N2/c1-13(9-12(14)15-10-13)8-7-11-5-3-2-4-6-11/h2-6,9,15H,7-8,10,14H2,1H3
InChIKeyZDWLWVWMQYTKNO-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.03
Rot. Bonds3

About 3-methyl-3-(2-phenylethyl)-1,2-dihydropyrrol-5-amine

3-methyl-3-(2-phenylethyl)-1,2-dihydropyrrol-5-amine (PubChem CID 141332969) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-methyl-3-(2-phenylethyl)-1,2-dihydropyrrol-5-amine.

Molecular Properties

Compound Name3-methyl-3-(2-phenylethyl)-1,2-dihydropyrrol-5-amine
PubChem CID141332969
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name3-methyl-3-(2-phenylethyl)-1,2-dihydropyrrol-5-amine
SMILESCC1(CCc2ccccc2)C=C(N)NC1
InChIInChI=1S/C13H18N2/c1-13(9-12(14)15-10-13)8-7-11-5-3-2-4-6-11/h2-6,9,15H,7-8,10,14H2,1H3
InChIKeyZDWLWVWMQYTKNO-UHFFFAOYSA-N
XLogP2.03
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-3-(2-phenylethyl)-1,2-dihydropyrrol-5-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

2-(1-methylcyclopropyl)ethylbenzene
CID 18548209
3,3,4-trimethyl-1-(2-phenylethyl)-2,6,7-trioxabicyclo[2.2.2]octane
CID 11425500
2-methyl-1-(2-phenylethyl)cyclopropan-1-amine
CID 79332321
(3S)-3-methyl-3-(2-phenylethyl)-2H-inden-1-one
CID 102415186
N,N-dimethyl-1-(2-phenylethyl)cyclopropan-1-amine
CID 102513783
2,6-dimethyl-2-(2-phenylethyl)morpholine
CID 65122404
5-methyl-1-phenyl-5-(2-phenylethyl)-4H-imidazol-2-amine
CID 79502720
1-ethyl-5-methyl-5-(2-phenylethyl)-4H-imidazol-2-amine
CID 79510740
2-methyl-2-(2-phenylethyl)azepane
CID 79118526
4-ethyl-1-(2-phenylethyl)cyclohexan-1-amine
CID 60799381
7-methyl-7-(2-phenylethyl)-6-oxa-9-azaspiro[4.5]decane
CID 65211245
N-methyl-1-(2-phenylethyl)cyclopropan-1-amine
CID 83683099

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-phenylethyl)-1,2-dihydropyrrol-5-amine?
The IUPAC name of 3-methyl-3-(2-phenylethyl)-1,2-dihydropyrrol-5-amine (CID 141332969) is 3-methyl-3-(2-phenylethyl)-1,2-dihydropyrrol-5-amine.
What is the SMILES notation for 3-methyl-3-(2-phenylethyl)-1,2-dihydropyrrol-5-amine?
The canonical SMILES for 3-methyl-3-(2-phenylethyl)-1,2-dihydropyrrol-5-amine is CC1(CCc2ccccc2)C=C(N)NC1.
What is the InChIKey of 3-methyl-3-(2-phenylethyl)-1,2-dihydropyrrol-5-amine?
The InChIKey is ZDWLWVWMQYTKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-13(9-12(14)15-10-13)8-7-11-5-3-2-4-6-11/h2-6,9,15H,7-8,10,14H2,1H3.
What are the key properties of 3-methyl-3-(2-phenylethyl)-1,2-dihydropyrrol-5-amine?
3-methyl-3-(2-phenylethyl)-1,2-dihydropyrrol-5-amine has a molecular weight of 202.30 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-phenylethyl)-1,2-dihydropyrrol-5-amine is sourced from PubChem (CID 141332969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).