(4-methoxyphenyl)methyl-[(4-prop-2-enoxyphenyl)methyl]azanium

C18H22NO2+ — CID 8636099

IUPAC(4-methoxyphenyl)methyl-[(4-prop-2-enoxyphenyl)methyl]azanium
SMILESC=CCOc1ccc(C[NH2+]Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H21NO2/c1-3-12-21-18-10-6-16(7-11-18)14-19-13-15-4-8-17(20-2)9-5-15/h3-11,19H,1,12-14H2,2H3/p+1
InChIKeyBFNNANZFEZULSZ-UHFFFAOYSA-O
MW284.38 g/mol
LogP2.52
Rot. Bonds8

About (4-methoxyphenyl)methyl-[(4-prop-2-enoxyphenyl)methyl]azanium

(4-methoxyphenyl)methyl-[(4-prop-2-enoxyphenyl)methyl]azanium (PubChem CID 8636099) has the molecular formula C18H22NO2+ and a molecular weight of 284.38 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl-[(4-prop-2-enoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl-[(4-prop-2-enoxyphenyl)methyl]azanium
PubChem CID8636099
Molecular FormulaC18H22NO2+
Molecular Weight284.38 g/mol
Exact Mass284.16
IUPAC Name(4-methoxyphenyl)methyl-[(4-prop-2-enoxyphenyl)methyl]azanium
SMILESC=CCOc1ccc(C[NH2+]Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H21NO2/c1-3-12-21-18-10-6-16(7-11-18)14-19-13-15-4-8-17(20-2)9-5-15/h3-11,19H,1,12-14H2,2H3/p+1
InChIKeyBFNNANZFEZULSZ-UHFFFAOYSA-O
XLogP2.52
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-ethoxy-4-prop-2-enoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 7380519
4-hydroxybutyl-[(4-prop-2-enoxyphenyl)methyl]azanium
CID 7937261
(4-methoxyphenyl)methyl-[(4-phenylphenyl)methyl]azanium
CID 8636190
(4-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 3504597
(4-methoxyphenyl)methyl-propylazanium
CID 7959873
[4-[[(4-methoxyphenyl)methylazaniumyl]methyl]phenyl]methyl-dimethylazanium
CID 8898263
(1,3-dihydroxy-2-methylpropan-2-yl)-[(4-prop-2-enoxyphenyl)methyl]azanium
CID 7959380
N-methoxy-1-(4-prop-2-enoxyphenyl)methanamine
CID 82706596
[4-(4-methoxyphenoxy)carbonylphenyl] 4-prop-2-enoxybenzoate
CID 18368747
(4-prop-2-enoxyphenyl) 4-methoxybenzoate
CID 71332396
1-(1-deuterioprop-2-enyl)-4-methoxybenzene
CID 131851779
1-prop-2-enoxy-4-[4-(4-prop-2-enylphenyl)phenyl]benzene
CID 67815398

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl-[(4-prop-2-enoxyphenyl)methyl]azanium?
The IUPAC name of (4-methoxyphenyl)methyl-[(4-prop-2-enoxyphenyl)methyl]azanium (CID 8636099) is (4-methoxyphenyl)methyl-[(4-prop-2-enoxyphenyl)methyl]azanium.
What is the SMILES notation for (4-methoxyphenyl)methyl-[(4-prop-2-enoxyphenyl)methyl]azanium?
The canonical SMILES for (4-methoxyphenyl)methyl-[(4-prop-2-enoxyphenyl)methyl]azanium is C=CCOc1ccc(C[NH2+]Cc2ccc(OC)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl-[(4-prop-2-enoxyphenyl)methyl]azanium?
The InChIKey is BFNNANZFEZULSZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H21NO2/c1-3-12-21-18-10-6-16(7-11-18)14-19-13-15-4-8-17(20-2)9-5-15/h3-11,19H,1,12-14H2,2H3/p+1.
What are the key properties of (4-methoxyphenyl)methyl-[(4-prop-2-enoxyphenyl)methyl]azanium?
(4-methoxyphenyl)methyl-[(4-prop-2-enoxyphenyl)methyl]azanium has a molecular weight of 284.38 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl-[(4-prop-2-enoxyphenyl)methyl]azanium is sourced from PubChem (CID 8636099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).