1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrole

C17H23N — CID 129257256

IUPAC1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrole
SMILESCC(C)c1cc(Cn2cccc2)cc(C(C)C)c1
InChIInChI=1S/C17H23N/c1-13(2)16-9-15(10-17(11-16)14(3)4)12-18-7-5-6-8-18/h5-11,13-14H,12H2,1-4H3
InChIKeyLGTWPXXXZQZAAP-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.78
Rot. Bonds4

About 1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrole

1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrole (PubChem CID 129257256) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrole.

Molecular Properties

Compound Name1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrole
PubChem CID129257256
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrole
SMILESCC(C)c1cc(Cn2cccc2)cc(C(C)C)c1
InChIInChI=1S/C17H23N/c1-13(2)16-9-15(10-17(11-16)14(3)4)12-18-7-5-6-8-18/h5-11,13-14H,12H2,1-4H3
InChIKeyLGTWPXXXZQZAAP-UHFFFAOYSA-N
XLogP4.78
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrole 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

Nicotine
CID 89594
Triprolidine
CID 5282443
(+-)-Dimethindene
CID 21855
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
Pheniramine
CID 4761
Triprolidine Hydrochloride Anhydrous
CID 5702129
4-Phenylpyridine
CID 13651
3-Butylpyridine
CID 10874
3-Pentylpyridine
CID 238307
3-Phenylpyridine
CID 13886
4-(3-Phenylpropyl)pyridine
CID 74937
(R)-Nicotine
CID 157672

Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrole?
The IUPAC name of 1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrole (CID 129257256) is 1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrole.
What is the SMILES notation for 1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrole?
The canonical SMILES for 1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrole is CC(C)c1cc(Cn2cccc2)cc(C(C)C)c1.
What is the InChIKey of 1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrole?
The InChIKey is LGTWPXXXZQZAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-13(2)16-9-15(10-17(11-16)14(3)4)12-18-7-5-6-8-18/h5-11,13-14H,12H2,1-4H3.
What are the key properties of 1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrole?
1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrole has a molecular weight of 241.38 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,5-di(propan-2-yl)phenyl]methyl]pyrrole is sourced from PubChem (CID 129257256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).