4-[(3,4-dimethylphenyl)methyl]-3H-pyrrole

C13H15N — CID 160547362

IUPAC4-[(3,4-dimethylphenyl)methyl]-3H-pyrrole
SMILESCc1ccc(CC2=CN=CC2)cc1C
InChIInChI=1S/C13H15N/c1-10-3-4-12(7-11(10)2)8-13-5-6-14-9-13/h3-4,6-7,9H,5,8H2,1-2H3
InChIKeyHOVYDPVGKCZIMZ-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.20
Rot. Bonds2

About 4-[(3,4-dimethylphenyl)methyl]-3H-pyrrole

4-[(3,4-dimethylphenyl)methyl]-3H-pyrrole (PubChem CID 160547362) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)methyl]-3H-pyrrole.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)methyl]-3H-pyrrole
PubChem CID160547362
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name4-[(3,4-dimethylphenyl)methyl]-3H-pyrrole
SMILESCc1ccc(CC2=CN=CC2)cc1C
InChIInChI=1S/C13H15N/c1-10-3-4-12(7-11(10)2)8-13-5-6-14-9-13/h3-4,6-7,9H,5,8H2,1-2H3
InChIKeyHOVYDPVGKCZIMZ-UHFFFAOYSA-N
XLogP3.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3,4-dimethylphenyl)methyl]cyclopent-2-en-1-amine
CID 65174640
4-[(3-chlorocyclopenten-1-yl)methyl]-1,2-dimethylbenzene
CID 65176215
2-[2-(3,4-dimethylphenyl)ethyl]-N-methylthiiran-2-amine
CID 134172754
1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene
CID 20706895
2-[(3,4-dimethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 62904201
4-(cyclopenta-1,4-dien-1-ylmethyl)-1,2-dimethylbenzene
CID 173472897
[2-[(3,4-dimethylphenyl)methyl]pyrimidin-5-yl]methanol
CID 62904211
1,4-bis(4-methylphenyl)benzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;2,6-dimethylpyridine
CID 158538111
5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 45496455
1-[2-(3,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 83684647
4-ethyl-1,2-dimethylbenzene;1,4-xylene
CID 142969887
3-[(3,4-dimethylphenyl)methyl]-1,4,2-dioxazol-5-one
CID 162164289

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)methyl]-3H-pyrrole?
The IUPAC name of 4-[(3,4-dimethylphenyl)methyl]-3H-pyrrole (CID 160547362) is 4-[(3,4-dimethylphenyl)methyl]-3H-pyrrole.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)methyl]-3H-pyrrole?
The canonical SMILES for 4-[(3,4-dimethylphenyl)methyl]-3H-pyrrole is Cc1ccc(CC2=CN=CC2)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenyl)methyl]-3H-pyrrole?
The InChIKey is HOVYDPVGKCZIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-10-3-4-12(7-11(10)2)8-13-5-6-14-9-13/h3-4,6-7,9H,5,8H2,1-2H3.
What are the key properties of 4-[(3,4-dimethylphenyl)methyl]-3H-pyrrole?
4-[(3,4-dimethylphenyl)methyl]-3H-pyrrole has a molecular weight of 185.27 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)methyl]-3H-pyrrole is sourced from PubChem (CID 160547362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).