2-[(2-phenylethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one

C19H21NO — CID 10062167

IUPAC2-[(2-phenylethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1CNCCc1ccccc1
InChIInChI=1S/C19H21NO/c21-19-17(11-10-16-8-4-5-9-18(16)19)14-20-13-12-15-6-2-1-3-7-15/h1-9,17,20H,10-14H2
InChIKeyXHWVWRNRKFPGMY-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.26
Rot. Bonds5

About 2-[(2-phenylethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one

2-[(2-phenylethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 10062167) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[(2-phenylethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-[(2-phenylethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID10062167
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name2-[(2-phenylethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1CNCCc1ccccc1
InChIInChI=1S/C19H21NO/c21-19-17(11-10-16-8-4-5-9-18(16)19)14-20-13-12-15-6-2-1-3-7-15/h1-9,17,20H,10-14H2
InChIKeyXHWVWRNRKFPGMY-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.26
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 2-[(2-phenylethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-[(2-phenylethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one (CID 10062167) is 2-[(2-phenylethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-[(2-phenylethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-[(2-phenylethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccccc2CCC1CNCCc1ccccc1.
What is the InChIKey of 2-[(2-phenylethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is XHWVWRNRKFPGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c21-19-17(11-10-16-8-4-5-9-18(16)19)14-20-13-12-15-6-2-1-3-7-15/h1-9,17,20H,10-14H2.
What are the key properties of 2-[(2-phenylethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one?
2-[(2-phenylethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 279.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 10062167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).