7-[2-[(dimethylamino)methyl]phenyl]-3,4-dihydro-2H-naphthalen-1-one

C19H21NO — CID 82540851

IUPAC7-[2-[(dimethylamino)methyl]phenyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCN(C)Cc1ccccc1-c1ccc2c(c1)C(=O)CCC2
InChIInChI=1S/C19H21NO/c1-20(2)13-16-6-3-4-8-17(16)15-11-10-14-7-5-9-19(21)18(14)12-15/h3-4,6,8,10-12H,5,7,9,13H2,1-2H3
InChIKeyHAMRABFHNXVXHJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.93
Rot. Bonds3

About 7-[2-[(dimethylamino)methyl]phenyl]-3,4-dihydro-2H-naphthalen-1-one

7-[2-[(dimethylamino)methyl]phenyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 82540851) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 7-[2-[(dimethylamino)methyl]phenyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name7-[2-[(dimethylamino)methyl]phenyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID82540851
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name7-[2-[(dimethylamino)methyl]phenyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCN(C)Cc1ccccc1-c1ccc2c(c1)C(=O)CCC2
InChIInChI=1S/C19H21NO/c1-20(2)13-16-6-3-4-8-17(16)15-11-10-14-7-5-9-19(21)18(14)12-15/h3-4,6,8,10-12H,5,7,9,13H2,1-2H3
InChIKeyHAMRABFHNXVXHJ-UHFFFAOYSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-[2-[(dimethylamino)methyl]phenyl]-3,4-dihydro-2H-naphthalen-1-one 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 7-[2-[(dimethylamino)methyl]phenyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 7-[2-[(dimethylamino)methyl]phenyl]-3,4-dihydro-2H-naphthalen-1-one (CID 82540851) is 7-[2-[(dimethylamino)methyl]phenyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 7-[2-[(dimethylamino)methyl]phenyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 7-[2-[(dimethylamino)methyl]phenyl]-3,4-dihydro-2H-naphthalen-1-one is CN(C)Cc1ccccc1-c1ccc2c(c1)C(=O)CCC2.
What is the InChIKey of 7-[2-[(dimethylamino)methyl]phenyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is HAMRABFHNXVXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-20(2)13-16-6-3-4-8-17(16)15-11-10-14-7-5-9-19(21)18(14)12-15/h3-4,6,8,10-12H,5,7,9,13H2,1-2H3.
What are the key properties of 7-[2-[(dimethylamino)methyl]phenyl]-3,4-dihydro-2H-naphthalen-1-one?
7-[2-[(dimethylamino)methyl]phenyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 279.38 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(dimethylamino)methyl]phenyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 82540851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).