(5R,6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-1H-benzo[7]annulen-5-ol

C14H21NO — CID 70291125

IUPAC(5R,6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-1H-benzo[7]annulen-5-ol
SMILESCN(C)C[C@@H]1CCC=C2CC=CC=C2[C@@H]1O
InChIInChI=1S/C14H21NO/c1-15(2)10-12-8-5-7-11-6-3-4-9-13(11)14(12)16/h3-4,7,9,12,14,16H,5-6,8,10H2,1-2H3/t12-,14+/m0/s1
InChIKeyODZKJCMELZQSHG-GXTWGEPZSA-N
MW219.33 g/mol
LogP2.13
Rot. Bonds2

About (5R,6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-1H-benzo[7]annulen-5-ol

(5R,6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-1H-benzo[7]annulen-5-ol (PubChem CID 70291125) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (5R,6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-1H-benzo[7]annulen-5-ol.

Molecular Properties

Compound Name(5R,6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-1H-benzo[7]annulen-5-ol
PubChem CID70291125
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(5R,6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-1H-benzo[7]annulen-5-ol
SMILESCN(C)C[C@@H]1CCC=C2CC=CC=C2[C@@H]1O
InChIInChI=1S/C14H21NO/c1-15(2)10-12-8-5-7-11-6-3-4-9-13(11)14(12)16/h3-4,7,9,12,14,16H,5-6,8,10H2,1-2H3/t12-,14+/m0/s1
InChIKeyODZKJCMELZQSHG-GXTWGEPZSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5R,6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-1H-benzo[7]annulen-5-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 (5R,6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-1H-benzo[7]annulen-5-ol?
The IUPAC name of (5R,6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-1H-benzo[7]annulen-5-ol (CID 70291125) is (5R,6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-1H-benzo[7]annulen-5-ol.
What is the SMILES notation for (5R,6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-1H-benzo[7]annulen-5-ol?
The canonical SMILES for (5R,6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-1H-benzo[7]annulen-5-ol is CN(C)C[C@@H]1CCC=C2CC=CC=C2[C@@H]1O.
What is the InChIKey of (5R,6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-1H-benzo[7]annulen-5-ol?
The InChIKey is ODZKJCMELZQSHG-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H21NO/c1-15(2)10-12-8-5-7-11-6-3-4-9-13(11)14(12)16/h3-4,7,9,12,14,16H,5-6,8,10H2,1-2H3/t12-,14+/m0/s1.
What are the key properties of (5R,6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-1H-benzo[7]annulen-5-ol?
(5R,6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-1H-benzo[7]annulen-5-ol has a molecular weight of 219.33 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-1H-benzo[7]annulen-5-ol is sourced from PubChem (CID 70291125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).