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

C17H19N — CID 44521012

IUPAC2-(9,10-dihydroanthracen-9-yl)-N-methylethanamine
SMILESCNCCC1c2ccccc2Cc2ccccc21
InChIInChI=1S/C17H19N/c1-18-11-10-17-15-8-4-2-6-13(15)12-14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3
InChIKeyPVWQFOKNAQZORV-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.33
Rot. Bonds3

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

2-(9,10-dihydroanthracen-9-yl)-N-methylethanamine (PubChem CID 44521012) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(9,10-dihydroanthracen-9-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(9,10-dihydroanthracen-9-yl)-N-methylethanamine
PubChem CID44521012
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name2-(9,10-dihydroanthracen-9-yl)-N-methylethanamine
SMILESCNCCC1c2ccccc2Cc2ccccc21
InChIInChI=1S/C17H19N/c1-18-11-10-17-15-8-4-2-6-13(15)12-14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3
InChIKeyPVWQFOKNAQZORV-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(9,10-dihydroanthracen-9-yl)-N-methylethanamine?
The IUPAC name of 2-(9,10-dihydroanthracen-9-yl)-N-methylethanamine (CID 44521012) is 2-(9,10-dihydroanthracen-9-yl)-N-methylethanamine.
What is the SMILES notation for 2-(9,10-dihydroanthracen-9-yl)-N-methylethanamine?
The canonical SMILES for 2-(9,10-dihydroanthracen-9-yl)-N-methylethanamine is CNCCC1c2ccccc2Cc2ccccc21.
What is the InChIKey of 2-(9,10-dihydroanthracen-9-yl)-N-methylethanamine?
The InChIKey is PVWQFOKNAQZORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-18-11-10-17-15-8-4-2-6-13(15)12-14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3.
What are the key properties of 2-(9,10-dihydroanthracen-9-yl)-N-methylethanamine?
2-(9,10-dihydroanthracen-9-yl)-N-methylethanamine has a molecular weight of 237.35 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,10-dihydroanthracen-9-yl)-N-methylethanamine is sourced from PubChem (CID 44521012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).