(4-methoxy-9,10-dihydroanthracen-9-yl)methanamine

C16H17NO — CID 44580318

IUPAC(4-methoxy-9,10-dihydroanthracen-9-yl)methanamine
SMILESCOc1cccc2c1Cc1ccccc1C2CN
InChIInChI=1S/C16H17NO/c1-18-16-8-4-7-13-14(16)9-11-5-2-3-6-12(11)15(13)10-17/h2-8,15H,9-10,17H2,1H3
InChIKeyZJILWLYMMRQWLR-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.69
Rot. Bonds2

About (4-methoxy-9,10-dihydroanthracen-9-yl)methanamine

(4-methoxy-9,10-dihydroanthracen-9-yl)methanamine (PubChem CID 44580318) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is (4-methoxy-9,10-dihydroanthracen-9-yl)methanamine.

Molecular Properties

Compound Name(4-methoxy-9,10-dihydroanthracen-9-yl)methanamine
PubChem CID44580318
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name(4-methoxy-9,10-dihydroanthracen-9-yl)methanamine
SMILESCOc1cccc2c1Cc1ccccc1C2CN
InChIInChI=1S/C16H17NO/c1-18-16-8-4-7-13-14(16)9-11-5-2-3-6-12(11)15(13)10-17/h2-8,15H,9-10,17H2,1H3
InChIKeyZJILWLYMMRQWLR-UHFFFAOYSA-N
XLogP2.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-9,10-dihydroanthracen-9-yl)methanamine?
The IUPAC name of (4-methoxy-9,10-dihydroanthracen-9-yl)methanamine (CID 44580318) is (4-methoxy-9,10-dihydroanthracen-9-yl)methanamine.
What is the SMILES notation for (4-methoxy-9,10-dihydroanthracen-9-yl)methanamine?
The canonical SMILES for (4-methoxy-9,10-dihydroanthracen-9-yl)methanamine is COc1cccc2c1Cc1ccccc1C2CN.
What is the InChIKey of (4-methoxy-9,10-dihydroanthracen-9-yl)methanamine?
The InChIKey is ZJILWLYMMRQWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-18-16-8-4-7-13-14(16)9-11-5-2-3-6-12(11)15(13)10-17/h2-8,15H,9-10,17H2,1H3.
What are the key properties of (4-methoxy-9,10-dihydroanthracen-9-yl)methanamine?
(4-methoxy-9,10-dihydroanthracen-9-yl)methanamine has a molecular weight of 239.32 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-9,10-dihydroanthracen-9-yl)methanamine is sourced from PubChem (CID 44580318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).