3-(9,10-dihydroanthracen-9-yl)-N-methylpropan-1-amine

C18H21N — CID 10399921

IUPAC3-(9,10-dihydroanthracen-9-yl)-N-methylpropan-1-amine
SMILESCNCCCC1c2ccccc2Cc2ccccc21
InChIInChI=1S/C18H21N/c1-19-12-6-11-18-16-9-4-2-7-14(16)13-15-8-3-5-10-17(15)18/h2-5,7-10,18-19H,6,11-13H2,1H3
InChIKeyHMWYNGSUVFCIHB-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.72
Rot. Bonds4

About 3-(9,10-dihydroanthracen-9-yl)-N-methylpropan-1-amine

3-(9,10-dihydroanthracen-9-yl)-N-methylpropan-1-amine (PubChem CID 10399921) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(9,10-dihydroanthracen-9-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(9,10-dihydroanthracen-9-yl)-N-methylpropan-1-amine
PubChem CID10399921
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name3-(9,10-dihydroanthracen-9-yl)-N-methylpropan-1-amine
SMILESCNCCCC1c2ccccc2Cc2ccccc21
InChIInChI=1S/C18H21N/c1-19-12-6-11-18-16-9-4-2-7-14(16)13-15-8-3-5-10-17(15)18/h2-5,7-10,18-19H,6,11-13H2,1H3
InChIKeyHMWYNGSUVFCIHB-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(9,10-dihydroanthracen-9-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(9,10-dihydroanthracen-9-yl)-N-methylpropan-1-amine (CID 10399921) is 3-(9,10-dihydroanthracen-9-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(9,10-dihydroanthracen-9-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(9,10-dihydroanthracen-9-yl)-N-methylpropan-1-amine is CNCCCC1c2ccccc2Cc2ccccc21.
What is the InChIKey of 3-(9,10-dihydroanthracen-9-yl)-N-methylpropan-1-amine?
The InChIKey is HMWYNGSUVFCIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-19-12-6-11-18-16-9-4-2-7-14(16)13-15-8-3-5-10-17(15)18/h2-5,7-10,18-19H,6,11-13H2,1H3.
What are the key properties of 3-(9,10-dihydroanthracen-9-yl)-N-methylpropan-1-amine?
3-(9,10-dihydroanthracen-9-yl)-N-methylpropan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,10-dihydroanthracen-9-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 10399921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).