2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]propan-2-ol

C17H23NO — CID 23015341

IUPAC2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]propan-2-ol
SMILESCN(C)CC1=CCC(c2ccccc2C(C)(C)O)=C1
InChIInChI=1S/C17H23NO/c1-17(2,19)16-8-6-5-7-15(16)14-10-9-13(11-14)12-18(3)4/h5-9,11,19H,10,12H2,1-4H3
InChIKeyGPXMEUVBZLSTLE-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.19
Rot. Bonds4

About 2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]propan-2-ol

2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]propan-2-ol (PubChem CID 23015341) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]propan-2-ol
PubChem CID23015341
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]propan-2-ol
SMILESCN(C)CC1=CCC(c2ccccc2C(C)(C)O)=C1
InChIInChI=1S/C17H23NO/c1-17(2,19)16-8-6-5-7-15(16)14-10-9-13(11-14)12-18(3)4/h5-9,11,19H,10,12H2,1-4H3
InChIKeyGPXMEUVBZLSTLE-UHFFFAOYSA-N
XLogP3.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]propan-2-ol?
The IUPAC name of 2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]propan-2-ol (CID 23015341) is 2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]propan-2-ol?
The canonical SMILES for 2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]propan-2-ol is CN(C)CC1=CCC(c2ccccc2C(C)(C)O)=C1.
What is the InChIKey of 2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]propan-2-ol?
The InChIKey is GPXMEUVBZLSTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-17(2,19)16-8-6-5-7-15(16)14-10-9-13(11-14)12-18(3)4/h5-9,11,19H,10,12H2,1-4H3.
What are the key properties of 2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]propan-2-ol?
2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]propan-2-ol has a molecular weight of 257.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]propan-2-ol is sourced from PubChem (CID 23015341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).