1-benzyl-4-(3-methylphenyl)-2,3-dihydropyrrole;hydrochloride

C18H20ClN — CID 19095582

IUPAC1-benzyl-4-(3-methylphenyl)-2,3-dihydropyrrole;hydrochloride
SMILESCc1cccc(C2=CN(Cc3ccccc3)CC2)c1.Cl
InChIInChI=1S/C18H19N.ClH/c1-15-6-5-9-17(12-15)18-10-11-19(14-18)13-16-7-3-2-4-8-16;/h2-9,12,14H,10-11,13H2,1H3;1H
InChIKeyRESWCEVLMQVZDK-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.66
Rot. Bonds3

About 1-benzyl-4-(3-methylphenyl)-2,3-dihydropyrrole;hydrochloride

1-benzyl-4-(3-methylphenyl)-2,3-dihydropyrrole;hydrochloride (PubChem CID 19095582) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is 1-benzyl-4-(3-methylphenyl)-2,3-dihydropyrrole;hydrochloride.

Molecular Properties

Compound Name1-benzyl-4-(3-methylphenyl)-2,3-dihydropyrrole;hydrochloride
PubChem CID19095582
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name1-benzyl-4-(3-methylphenyl)-2,3-dihydropyrrole;hydrochloride
SMILESCc1cccc(C2=CN(Cc3ccccc3)CC2)c1.Cl
InChIInChI=1S/C18H19N.ClH/c1-15-6-5-9-17(12-15)18-10-11-19(14-18)13-16-7-3-2-4-8-16;/h2-9,12,14H,10-11,13H2,1H3;1H
InChIKeyRESWCEVLMQVZDK-UHFFFAOYSA-N
XLogP4.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-benzyl-4-(3-methylphenyl)-2,3-dihydropyrrole;hydrochloride 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

4-(1,3-benzodioxol-5-yl)-1-benzyl-2,3-dihydropyrrole
CID 10945800
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286
1,1'-biphenyl;1-cyclopenta-1,3-dien-1-yl-3-methylbenzene
CID 174397877
1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 154320676
2-chloro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800875
1-methyl-4-[[3-(3-methylphenyl)phenyl]methyl]piperazine
CID 166864415
ethane;1-methyl-3-phenylbenzene
CID 142040878
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
4-benzyl-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
CID 864201

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-methylphenyl)-2,3-dihydropyrrole;hydrochloride?
The IUPAC name of 1-benzyl-4-(3-methylphenyl)-2,3-dihydropyrrole;hydrochloride (CID 19095582) is 1-benzyl-4-(3-methylphenyl)-2,3-dihydropyrrole;hydrochloride.
What is the SMILES notation for 1-benzyl-4-(3-methylphenyl)-2,3-dihydropyrrole;hydrochloride?
The canonical SMILES for 1-benzyl-4-(3-methylphenyl)-2,3-dihydropyrrole;hydrochloride is Cc1cccc(C2=CN(Cc3ccccc3)CC2)c1.Cl.
What is the InChIKey of 1-benzyl-4-(3-methylphenyl)-2,3-dihydropyrrole;hydrochloride?
The InChIKey is RESWCEVLMQVZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N.ClH/c1-15-6-5-9-17(12-15)18-10-11-19(14-18)13-16-7-3-2-4-8-16;/h2-9,12,14H,10-11,13H2,1H3;1H.
What are the key properties of 1-benzyl-4-(3-methylphenyl)-2,3-dihydropyrrole;hydrochloride?
1-benzyl-4-(3-methylphenyl)-2,3-dihydropyrrole;hydrochloride has a molecular weight of 285.82 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-methylphenyl)-2,3-dihydropyrrole;hydrochloride is sourced from PubChem (CID 19095582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).