[4-[5-(4-methanimidoylphenoxy)pentoxy]phenyl]methanamine

C19H24N2O2 — CID 145111056

IUPAC[4-[5-(4-methanimidoylphenoxy)pentoxy]phenyl]methanamine
SMILES[H]/N=C/c1ccc(OCCCCCOc2ccc(CN)cc2)cc1
InChIInChI=1S/C19H24N2O2/c20-14-16-4-8-18(9-5-16)22-12-2-1-3-13-23-19-10-6-17(15-21)7-11-19/h4-11,14,20H,1-3,12-13,15,21H2/b20-14+
InChIKeyMWQSRNSLJAKQTL-XSFVSMFZSA-N
MW312.41 g/mol
LogP3.77
Rot. Bonds10

About [4-[5-(4-methanimidoylphenoxy)pentoxy]phenyl]methanamine

[4-[5-(4-methanimidoylphenoxy)pentoxy]phenyl]methanamine (PubChem CID 145111056) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is [4-[5-(4-methanimidoylphenoxy)pentoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[5-(4-methanimidoylphenoxy)pentoxy]phenyl]methanamine
PubChem CID145111056
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name[4-[5-(4-methanimidoylphenoxy)pentoxy]phenyl]methanamine
SMILES[H]/N=C/c1ccc(OCCCCCOc2ccc(CN)cc2)cc1
InChIInChI=1S/C19H24N2O2/c20-14-16-4-8-18(9-5-16)22-12-2-1-3-13-23-19-10-6-17(15-21)7-11-19/h4-11,14,20H,1-3,12-13,15,21H2/b20-14+
InChIKeyMWQSRNSLJAKQTL-XSFVSMFZSA-N
XLogP3.77
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-methanimidoylphenoxy)pentoxy]phenyl]methanamine?
The IUPAC name of [4-[5-(4-methanimidoylphenoxy)pentoxy]phenyl]methanamine (CID 145111056) is [4-[5-(4-methanimidoylphenoxy)pentoxy]phenyl]methanamine.
What is the SMILES notation for [4-[5-(4-methanimidoylphenoxy)pentoxy]phenyl]methanamine?
The canonical SMILES for [4-[5-(4-methanimidoylphenoxy)pentoxy]phenyl]methanamine is [H]/N=C/c1ccc(OCCCCCOc2ccc(CN)cc2)cc1.
What is the InChIKey of [4-[5-(4-methanimidoylphenoxy)pentoxy]phenyl]methanamine?
The InChIKey is MWQSRNSLJAKQTL-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H24N2O2/c20-14-16-4-8-18(9-5-16)22-12-2-1-3-13-23-19-10-6-17(15-21)7-11-19/h4-11,14,20H,1-3,12-13,15,21H2/b20-14+.
What are the key properties of [4-[5-(4-methanimidoylphenoxy)pentoxy]phenyl]methanamine?
[4-[5-(4-methanimidoylphenoxy)pentoxy]phenyl]methanamine has a molecular weight of 312.41 g/mol, XLogP of 3.77, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-methanimidoylphenoxy)pentoxy]phenyl]methanamine is sourced from PubChem (CID 145111056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).