[1-(4-phenoxyphenyl)-5-propyltriazol-4-yl]methanamine

C18H20N4O — CID 94938513

IUPAC[1-(4-phenoxyphenyl)-5-propyltriazol-4-yl]methanamine
SMILESCCCc1c(CN)nnn1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H20N4O/c1-2-6-18-17(13-19)20-21-22(18)14-9-11-16(12-10-14)23-15-7-4-3-5-8-15/h3-5,7-12H,2,6,13,19H2,1H3
InChIKeyOYVXIBDBVUVKBC-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.47
Rot. Bonds6

About [1-(4-phenoxyphenyl)-5-propyltriazol-4-yl]methanamine

[1-(4-phenoxyphenyl)-5-propyltriazol-4-yl]methanamine (PubChem CID 94938513) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is [1-(4-phenoxyphenyl)-5-propyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4-phenoxyphenyl)-5-propyltriazol-4-yl]methanamine
PubChem CID94938513
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name[1-(4-phenoxyphenyl)-5-propyltriazol-4-yl]methanamine
SMILESCCCc1c(CN)nnn1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H20N4O/c1-2-6-18-17(13-19)20-21-22(18)14-9-11-16(12-10-14)23-15-7-4-3-5-8-15/h3-5,7-12H,2,6,13,19H2,1H3
InChIKeyOYVXIBDBVUVKBC-UHFFFAOYSA-N
XLogP3.47
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-ethyl-1-(4-phenoxyphenyl)triazol-4-yl]methanamine
CID 82198492
(5-butyl-1-phenyltriazol-4-yl)methanamine
CID 82200262
[1-(4-chlorophenyl)-5-propyltriazol-4-yl]methanamine
CID 82200808
[5-butyl-1-(4-methoxyphenyl)triazol-4-yl]methanamine
CID 82196254
[5-(3-phenoxypropyl)-1-phenyltriazol-4-yl]methanamine
CID 94939895
ethyl 4-[4-(aminomethyl)-5-propyltriazol-1-yl]benzoate
CID 82195040
[1-(3,5-dichlorophenyl)-5-propyltriazol-4-yl]methanamine
CID 82196629
[5-[2-(4-methylphenyl)ethyl]-1-phenyltriazol-4-yl]methanamine
CID 82200300
[5-butyl-1-(4-tert-butylphenyl)triazol-4-yl]methanamine
CID 82198141
[5-butyl-1-(4-piperidin-1-ylphenyl)triazol-4-yl]methanamine
CID 94939043
(1-benzyl-5-propyltriazol-4-yl)methanamine
CID 82203130
[1-[4-(2-methylpropoxy)phenyl]-5-propyltriazol-4-yl]methanol
CID 82199899

Frequently Asked Questions

What is the IUPAC name of [1-(4-phenoxyphenyl)-5-propyltriazol-4-yl]methanamine?
The IUPAC name of [1-(4-phenoxyphenyl)-5-propyltriazol-4-yl]methanamine (CID 94938513) is [1-(4-phenoxyphenyl)-5-propyltriazol-4-yl]methanamine.
What is the SMILES notation for [1-(4-phenoxyphenyl)-5-propyltriazol-4-yl]methanamine?
The canonical SMILES for [1-(4-phenoxyphenyl)-5-propyltriazol-4-yl]methanamine is CCCc1c(CN)nnn1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [1-(4-phenoxyphenyl)-5-propyltriazol-4-yl]methanamine?
The InChIKey is OYVXIBDBVUVKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-2-6-18-17(13-19)20-21-22(18)14-9-11-16(12-10-14)23-15-7-4-3-5-8-15/h3-5,7-12H,2,6,13,19H2,1H3.
What are the key properties of [1-(4-phenoxyphenyl)-5-propyltriazol-4-yl]methanamine?
[1-(4-phenoxyphenyl)-5-propyltriazol-4-yl]methanamine has a molecular weight of 308.38 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-phenoxyphenyl)-5-propyltriazol-4-yl]methanamine is sourced from PubChem (CID 94938513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).