N-(9,10-dihydroanthracen-9-ylmethyl)-3-phenylpropan-1-amine

C24H25N — CID 46216771

IUPACN-(9,10-dihydroanthracen-9-ylmethyl)-3-phenylpropan-1-amine
SMILESc1ccc(CCCNCC2c3ccccc3Cc3ccccc32)cc1
InChIInChI=1S/C24H25N/c1-2-9-19(10-3-1)11-8-16-25-18-24-22-14-6-4-12-20(22)17-21-13-5-7-15-23(21)24/h1-7,9-10,12-15,24-25H,8,11,16-18H2
InChIKeyUTYFBWKQSXSRBL-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.95
Rot. Bonds6

About N-(9,10-dihydroanthracen-9-ylmethyl)-3-phenylpropan-1-amine

N-(9,10-dihydroanthracen-9-ylmethyl)-3-phenylpropan-1-amine (PubChem CID 46216771) has the molecular formula C24H25N and a molecular weight of 327.47 g/mol. Its IUPAC name is N-(9,10-dihydroanthracen-9-ylmethyl)-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-(9,10-dihydroanthracen-9-ylmethyl)-3-phenylpropan-1-amine
PubChem CID46216771
Molecular FormulaC24H25N
Molecular Weight327.47 g/mol
Exact Mass327.20
IUPAC NameN-(9,10-dihydroanthracen-9-ylmethyl)-3-phenylpropan-1-amine
SMILESc1ccc(CCCNCC2c3ccccc3Cc3ccccc32)cc1
InChIInChI=1S/C24H25N/c1-2-9-19(10-3-1)11-8-16-25-18-24-22-14-6-4-12-20(22)17-21-13-5-7-15-23(21)24/h1-7,9-10,12-15,24-25H,8,11,16-18H2
InChIKeyUTYFBWKQSXSRBL-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.95
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)-3-phenylpropan-1-amine?
The IUPAC name of N-(9,10-dihydroanthracen-9-ylmethyl)-3-phenylpropan-1-amine (CID 46216771) is N-(9,10-dihydroanthracen-9-ylmethyl)-3-phenylpropan-1-amine.
What is the SMILES notation for N-(9,10-dihydroanthracen-9-ylmethyl)-3-phenylpropan-1-amine?
The canonical SMILES for N-(9,10-dihydroanthracen-9-ylmethyl)-3-phenylpropan-1-amine is c1ccc(CCCNCC2c3ccccc3Cc3ccccc32)cc1.
What is the InChIKey of N-(9,10-dihydroanthracen-9-ylmethyl)-3-phenylpropan-1-amine?
The InChIKey is UTYFBWKQSXSRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N/c1-2-9-19(10-3-1)11-8-16-25-18-24-22-14-6-4-12-20(22)17-21-13-5-7-15-23(21)24/h1-7,9-10,12-15,24-25H,8,11,16-18H2.
What are the key properties of N-(9,10-dihydroanthracen-9-ylmethyl)-3-phenylpropan-1-amine?
N-(9,10-dihydroanthracen-9-ylmethyl)-3-phenylpropan-1-amine has a molecular weight of 327.47 g/mol, XLogP of 4.95, 6 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)-3-phenylpropan-1-amine is sourced from PubChem (CID 46216771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).