2-[2-[2-[(dimethylamino)methyl]phenyl]prop-2-enyl]phenol

C18H21NO — CID 13144288

IUPAC2-[2-[2-[(dimethylamino)methyl]phenyl]prop-2-enyl]phenol
SMILESC=C(Cc1ccccc1O)c1ccccc1CN(C)C
InChIInChI=1S/C18H21NO/c1-14(12-15-8-5-7-11-18(15)20)17-10-6-4-9-16(17)13-19(2)3/h4-11,20H,1,12-13H2,2-3H3
InChIKeyGNADTMYSIPTSDV-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.71
Rot. Bonds5

About 2-[2-[2-[(dimethylamino)methyl]phenyl]prop-2-enyl]phenol

2-[2-[2-[(dimethylamino)methyl]phenyl]prop-2-enyl]phenol (PubChem CID 13144288) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[2-[2-[(dimethylamino)methyl]phenyl]prop-2-enyl]phenol.

Molecular Properties

Compound Name2-[2-[2-[(dimethylamino)methyl]phenyl]prop-2-enyl]phenol
PubChem CID13144288
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-[2-[2-[(dimethylamino)methyl]phenyl]prop-2-enyl]phenol
SMILESC=C(Cc1ccccc1O)c1ccccc1CN(C)C
InChIInChI=1S/C18H21NO/c1-14(12-15-8-5-7-11-18(15)20)17-10-6-4-9-16(17)13-19(2)3/h4-11,20H,1,12-13H2,2-3H3
InChIKeyGNADTMYSIPTSDV-UHFFFAOYSA-N
XLogP3.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-[2-[(dimethylamino)methyl]phenyl]prop-2-enyl]phenol 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-[2-[(dimethylamino)methyl]phenyl]prop-2-enyl]phenol?
The IUPAC name of 2-[2-[2-[(dimethylamino)methyl]phenyl]prop-2-enyl]phenol (CID 13144288) is 2-[2-[2-[(dimethylamino)methyl]phenyl]prop-2-enyl]phenol.
What is the SMILES notation for 2-[2-[2-[(dimethylamino)methyl]phenyl]prop-2-enyl]phenol?
The canonical SMILES for 2-[2-[2-[(dimethylamino)methyl]phenyl]prop-2-enyl]phenol is C=C(Cc1ccccc1O)c1ccccc1CN(C)C.
What is the InChIKey of 2-[2-[2-[(dimethylamino)methyl]phenyl]prop-2-enyl]phenol?
The InChIKey is GNADTMYSIPTSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-14(12-15-8-5-7-11-18(15)20)17-10-6-4-9-16(17)13-19(2)3/h4-11,20H,1,12-13H2,2-3H3.
What are the key properties of 2-[2-[2-[(dimethylamino)methyl]phenyl]prop-2-enyl]phenol?
2-[2-[2-[(dimethylamino)methyl]phenyl]prop-2-enyl]phenol has a molecular weight of 267.37 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(dimethylamino)methyl]phenyl]prop-2-enyl]phenol is sourced from PubChem (CID 13144288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).