2-(9,10-dihydroanthracen-9-yl)-N,N-dimethylethanamine

C18H21N — CID 44521013

IUPAC2-(9,10-dihydroanthracen-9-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1c2ccccc2Cc2ccccc21
InChIInChI=1S/C18H21N/c1-19(2)12-11-18-16-9-5-3-7-14(16)13-15-8-4-6-10-17(15)18/h3-10,18H,11-13H2,1-2H3
InChIKeyLGIIUKGHECNJNZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.67
Rot. Bonds3

About 2-(9,10-dihydroanthracen-9-yl)-N,N-dimethylethanamine

2-(9,10-dihydroanthracen-9-yl)-N,N-dimethylethanamine (PubChem CID 44521013) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(9,10-dihydroanthracen-9-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(9,10-dihydroanthracen-9-yl)-N,N-dimethylethanamine
PubChem CID44521013
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name2-(9,10-dihydroanthracen-9-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1c2ccccc2Cc2ccccc21
InChIInChI=1S/C18H21N/c1-19(2)12-11-18-16-9-5-3-7-14(16)13-15-8-4-6-10-17(15)18/h3-10,18H,11-13H2,1-2H3
InChIKeyLGIIUKGHECNJNZ-UHFFFAOYSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(9,10-dihydroanthracen-9-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(9,10-dihydroanthracen-9-yl)-N,N-dimethylethanamine (CID 44521013) is 2-(9,10-dihydroanthracen-9-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(9,10-dihydroanthracen-9-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(9,10-dihydroanthracen-9-yl)-N,N-dimethylethanamine is CN(C)CCC1c2ccccc2Cc2ccccc21.
What is the InChIKey of 2-(9,10-dihydroanthracen-9-yl)-N,N-dimethylethanamine?
The InChIKey is LGIIUKGHECNJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-19(2)12-11-18-16-9-5-3-7-14(16)13-15-8-4-6-10-17(15)18/h3-10,18H,11-13H2,1-2H3.
What are the key properties of 2-(9,10-dihydroanthracen-9-yl)-N,N-dimethylethanamine?
2-(9,10-dihydroanthracen-9-yl)-N,N-dimethylethanamine has a molecular weight of 251.37 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,10-dihydroanthracen-9-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 44521013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).