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

C16H17NO — CID 25138699

IUPAC(3-methoxy-9,10-dihydroanthracen-9-yl)methanamine
SMILESCOc1ccc2c(c1)Cc1ccccc1C2CN
InChIInChI=1S/C16H17NO/c1-18-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)16(15)10-17/h2-7,9,16H,8,10,17H2,1H3
InChIKeyDTEPCKRLYVEVEM-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.69
Rot. Bonds2

About (3-methoxy-9,10-dihydroanthracen-9-yl)methanamine

(3-methoxy-9,10-dihydroanthracen-9-yl)methanamine (PubChem CID 25138699) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is (3-methoxy-9,10-dihydroanthracen-9-yl)methanamine.

Molecular Properties

Compound Name(3-methoxy-9,10-dihydroanthracen-9-yl)methanamine
PubChem CID25138699
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name(3-methoxy-9,10-dihydroanthracen-9-yl)methanamine
SMILESCOc1ccc2c(c1)Cc1ccccc1C2CN
InChIInChI=1S/C16H17NO/c1-18-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)16(15)10-17/h2-7,9,16H,8,10,17H2,1H3
InChIKeyDTEPCKRLYVEVEM-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 (3-methoxy-9,10-dihydroanthracen-9-yl)methanamine?
The IUPAC name of (3-methoxy-9,10-dihydroanthracen-9-yl)methanamine (CID 25138699) is (3-methoxy-9,10-dihydroanthracen-9-yl)methanamine.
What is the SMILES notation for (3-methoxy-9,10-dihydroanthracen-9-yl)methanamine?
The canonical SMILES for (3-methoxy-9,10-dihydroanthracen-9-yl)methanamine is COc1ccc2c(c1)Cc1ccccc1C2CN.
What is the InChIKey of (3-methoxy-9,10-dihydroanthracen-9-yl)methanamine?
The InChIKey is DTEPCKRLYVEVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-18-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)16(15)10-17/h2-7,9,16H,8,10,17H2,1H3.
What are the key properties of (3-methoxy-9,10-dihydroanthracen-9-yl)methanamine?
(3-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 (3-methoxy-9,10-dihydroanthracen-9-yl)methanamine is sourced from PubChem (CID 25138699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).