(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)-N-(2-pyridin-2-yloxyethyl)propan-1-amine

C21H26N2O2 — CID 10020030

IUPAC(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)-N-(2-pyridin-2-yloxyethyl)propan-1-amine
SMILESCOc1cccc2c1CCC/C2=C\CCNCCOc1ccccn1
InChIInChI=1S/C21H26N2O2/c1-24-20-11-5-9-18-17(7-4-10-19(18)20)8-6-13-22-15-16-25-21-12-2-3-14-23-21/h2-3,5,8-9,11-12,14,22H,4,6-7,10,13,15-16H2,1H3/b17-8+
InChIKeyYFOSHVNQFAEBLL-CAOOACKPSA-N
MW338.45 g/mol
LogP3.87
Rot. Bonds8

About (3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)-N-(2-pyridin-2-yloxyethyl)propan-1-amine

(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)-N-(2-pyridin-2-yloxyethyl)propan-1-amine (PubChem CID 10020030) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)-N-(2-pyridin-2-yloxyethyl)propan-1-amine.

Molecular Properties

Compound Name(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)-N-(2-pyridin-2-yloxyethyl)propan-1-amine
PubChem CID10020030
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)-N-(2-pyridin-2-yloxyethyl)propan-1-amine
SMILESCOc1cccc2c1CCC/C2=C\CCNCCOc1ccccn1
InChIInChI=1S/C21H26N2O2/c1-24-20-11-5-9-18-17(7-4-10-19(18)20)8-6-13-22-15-16-25-21-12-2-3-14-23-21/h2-3,5,8-9,11-12,14,22H,4,6-7,10,13,15-16H2,1H3/b17-8+
InChIKeyYFOSHVNQFAEBLL-CAOOACKPSA-N
XLogP3.87
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)-N-(2-pyridin-2-yloxyethyl)propan-1-amine?
The IUPAC name of (3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)-N-(2-pyridin-2-yloxyethyl)propan-1-amine (CID 10020030) is (3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)-N-(2-pyridin-2-yloxyethyl)propan-1-amine.
What is the SMILES notation for (3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)-N-(2-pyridin-2-yloxyethyl)propan-1-amine?
The canonical SMILES for (3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)-N-(2-pyridin-2-yloxyethyl)propan-1-amine is COc1cccc2c1CCC/C2=C\CCNCCOc1ccccn1.
What is the InChIKey of (3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)-N-(2-pyridin-2-yloxyethyl)propan-1-amine?
The InChIKey is YFOSHVNQFAEBLL-CAOOACKPSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-24-20-11-5-9-18-17(7-4-10-19(18)20)8-6-13-22-15-16-25-21-12-2-3-14-23-21/h2-3,5,8-9,11-12,14,22H,4,6-7,10,13,15-16H2,1H3/b17-8+.
What are the key properties of (3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)-N-(2-pyridin-2-yloxyethyl)propan-1-amine?
(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)-N-(2-pyridin-2-yloxyethyl)propan-1-amine has a molecular weight of 338.45 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)-N-(2-pyridin-2-yloxyethyl)propan-1-amine is sourced from PubChem (CID 10020030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).