N-(9,10-dihydroanthracen-9-ylmethyl)-2-phenylethanamine

C23H23N — CID 46216770

IUPACN-(9,10-dihydroanthracen-9-ylmethyl)-2-phenylethanamine
SMILESc1ccc(CCNCC2c3ccccc3Cc3ccccc32)cc1
InChIInChI=1S/C23H23N/c1-2-8-18(9-3-1)14-15-24-17-23-21-12-6-4-10-19(21)16-20-11-5-7-13-22(20)23/h1-13,23-24H,14-17H2
InChIKeyJNUCCWMHZZUFKE-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.55
Rot. Bonds5

About N-(9,10-dihydroanthracen-9-ylmethyl)-2-phenylethanamine

N-(9,10-dihydroanthracen-9-ylmethyl)-2-phenylethanamine (PubChem CID 46216770) has the molecular formula C23H23N and a molecular weight of 313.44 g/mol. Its IUPAC name is N-(9,10-dihydroanthracen-9-ylmethyl)-2-phenylethanamine.

Molecular Properties

Compound NameN-(9,10-dihydroanthracen-9-ylmethyl)-2-phenylethanamine
PubChem CID46216770
Molecular FormulaC23H23N
Molecular Weight313.44 g/mol
Exact Mass313.18
IUPAC NameN-(9,10-dihydroanthracen-9-ylmethyl)-2-phenylethanamine
SMILESc1ccc(CCNCC2c3ccccc3Cc3ccccc32)cc1
InChIInChI=1S/C23H23N/c1-2-8-18(9-3-1)14-15-24-17-23-21-12-6-4-10-19(21)16-20-11-5-7-13-22(20)23/h1-13,23-24H,14-17H2
InChIKeyJNUCCWMHZZUFKE-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.55
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 N-(9,10-dihydroanthracen-9-ylmethyl)-2-phenylethanamine?
The IUPAC name of N-(9,10-dihydroanthracen-9-ylmethyl)-2-phenylethanamine (CID 46216770) is N-(9,10-dihydroanthracen-9-ylmethyl)-2-phenylethanamine.
What is the SMILES notation for N-(9,10-dihydroanthracen-9-ylmethyl)-2-phenylethanamine?
The canonical SMILES for N-(9,10-dihydroanthracen-9-ylmethyl)-2-phenylethanamine is c1ccc(CCNCC2c3ccccc3Cc3ccccc32)cc1.
What is the InChIKey of N-(9,10-dihydroanthracen-9-ylmethyl)-2-phenylethanamine?
The InChIKey is JNUCCWMHZZUFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N/c1-2-8-18(9-3-1)14-15-24-17-23-21-12-6-4-10-19(21)16-20-11-5-7-13-22(20)23/h1-13,23-24H,14-17H2.
What are the key properties of N-(9,10-dihydroanthracen-9-ylmethyl)-2-phenylethanamine?
N-(9,10-dihydroanthracen-9-ylmethyl)-2-phenylethanamine has a molecular weight of 313.44 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dihydroanthracen-9-ylmethyl)-2-phenylethanamine is sourced from PubChem (CID 46216770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).