(3-hexyl-6-methoxy-9,10-dihydroanthracen-9-yl)methanamine

C22H29NO — CID 25138700

IUPAC(3-hexyl-6-methoxy-9,10-dihydroanthracen-9-yl)methanamine
SMILESCCCCCCc1ccc2c(c1)Cc1cc(OC)ccc1C2CN
InChIInChI=1S/C22H29NO/c1-3-4-5-6-7-16-8-10-20-17(12-16)13-18-14-19(24-2)9-11-21(18)22(20)15-23/h8-12,14,22H,3-7,13,15,23H2,1-2H3
InChIKeyIEOVMMSCCNWORJ-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.81
Rot. Bonds7

About (3-hexyl-6-methoxy-9,10-dihydroanthracen-9-yl)methanamine

(3-hexyl-6-methoxy-9,10-dihydroanthracen-9-yl)methanamine (PubChem CID 25138700) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is (3-hexyl-6-methoxy-9,10-dihydroanthracen-9-yl)methanamine.

Molecular Properties

Compound Name(3-hexyl-6-methoxy-9,10-dihydroanthracen-9-yl)methanamine
PubChem CID25138700
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name(3-hexyl-6-methoxy-9,10-dihydroanthracen-9-yl)methanamine
SMILESCCCCCCc1ccc2c(c1)Cc1cc(OC)ccc1C2CN
InChIInChI=1S/C22H29NO/c1-3-4-5-6-7-16-8-10-20-17(12-16)13-18-14-19(24-2)9-11-21(18)22(20)15-23/h8-12,14,22H,3-7,13,15,23H2,1-2H3
InChIKeyIEOVMMSCCNWORJ-UHFFFAOYSA-N
XLogP4.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-hexyl-6-methoxy-9,10-dihydroanthracen-9-yl)methanamine?
The IUPAC name of (3-hexyl-6-methoxy-9,10-dihydroanthracen-9-yl)methanamine (CID 25138700) is (3-hexyl-6-methoxy-9,10-dihydroanthracen-9-yl)methanamine.
What is the SMILES notation for (3-hexyl-6-methoxy-9,10-dihydroanthracen-9-yl)methanamine?
The canonical SMILES for (3-hexyl-6-methoxy-9,10-dihydroanthracen-9-yl)methanamine is CCCCCCc1ccc2c(c1)Cc1cc(OC)ccc1C2CN.
What is the InChIKey of (3-hexyl-6-methoxy-9,10-dihydroanthracen-9-yl)methanamine?
The InChIKey is IEOVMMSCCNWORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-3-4-5-6-7-16-8-10-20-17(12-16)13-18-14-19(24-2)9-11-21(18)22(20)15-23/h8-12,14,22H,3-7,13,15,23H2,1-2H3.
What are the key properties of (3-hexyl-6-methoxy-9,10-dihydroanthracen-9-yl)methanamine?
(3-hexyl-6-methoxy-9,10-dihydroanthracen-9-yl)methanamine has a molecular weight of 323.48 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hexyl-6-methoxy-9,10-dihydroanthracen-9-yl)methanamine is sourced from PubChem (CID 25138700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).