(3Z)-3-(2-phenylethoxyimino)-2,4-dihydro-1H-naphthalen-2-amine

C18H20N2O — CID 24901460

IUPAC(3Z)-3-(2-phenylethoxyimino)-2,4-dihydro-1H-naphthalen-2-amine
SMILESNC1Cc2ccccc2C/C1=N/OCCc1ccccc1
InChIInChI=1S/C18H20N2O/c19-17-12-15-8-4-5-9-16(15)13-18(17)20-21-11-10-14-6-2-1-3-7-14/h1-9,17H,10-13,19H2/b20-18-
InChIKeyIKDOORIXCLPFIO-ZZEZOPTASA-N
MW280.37 g/mol
LogP2.73
Rot. Bonds4

About (3Z)-3-(2-phenylethoxyimino)-2,4-dihydro-1H-naphthalen-2-amine

(3Z)-3-(2-phenylethoxyimino)-2,4-dihydro-1H-naphthalen-2-amine (PubChem CID 24901460) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (3Z)-3-(2-phenylethoxyimino)-2,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name(3Z)-3-(2-phenylethoxyimino)-2,4-dihydro-1H-naphthalen-2-amine
PubChem CID24901460
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(3Z)-3-(2-phenylethoxyimino)-2,4-dihydro-1H-naphthalen-2-amine
SMILESNC1Cc2ccccc2C/C1=N/OCCc1ccccc1
InChIInChI=1S/C18H20N2O/c19-17-12-15-8-4-5-9-16(15)13-18(17)20-21-11-10-14-6-2-1-3-7-14/h1-9,17H,10-13,19H2/b20-18-
InChIKeyIKDOORIXCLPFIO-ZZEZOPTASA-N
XLogP2.73
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(2-phenylethoxyimino)-2,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of (3Z)-3-(2-phenylethoxyimino)-2,4-dihydro-1H-naphthalen-2-amine (CID 24901460) is (3Z)-3-(2-phenylethoxyimino)-2,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for (3Z)-3-(2-phenylethoxyimino)-2,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for (3Z)-3-(2-phenylethoxyimino)-2,4-dihydro-1H-naphthalen-2-amine is NC1Cc2ccccc2C/C1=N/OCCc1ccccc1.
What is the InChIKey of (3Z)-3-(2-phenylethoxyimino)-2,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is IKDOORIXCLPFIO-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H20N2O/c19-17-12-15-8-4-5-9-16(15)13-18(17)20-21-11-10-14-6-2-1-3-7-14/h1-9,17H,10-13,19H2/b20-18-.
What are the key properties of (3Z)-3-(2-phenylethoxyimino)-2,4-dihydro-1H-naphthalen-2-amine?
(3Z)-3-(2-phenylethoxyimino)-2,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 280.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(2-phenylethoxyimino)-2,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 24901460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).