[1-(2,5-dimethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine

C14H20N4O2 — CID 82198669

IUPAC[1-(2,5-dimethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine
SMILESCOc1ccc(OC)c(-n2nnc(CN)c2C(C)C)c1
InChIInChI=1S/C14H20N4O2/c1-9(2)14-11(8-15)16-17-18(14)12-7-10(19-3)5-6-13(12)20-4/h5-7,9H,8,15H2,1-4H3
InChIKeyRCNQHBVMNVUMGY-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.87
Rot. Bonds5

About [1-(2,5-dimethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine

[1-(2,5-dimethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine (PubChem CID 82198669) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is [1-(2,5-dimethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2,5-dimethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine
PubChem CID82198669
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name[1-(2,5-dimethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine
SMILESCOc1ccc(OC)c(-n2nnc(CN)c2C(C)C)c1
InChIInChI=1S/C14H20N4O2/c1-9(2)14-11(8-15)16-17-18(14)12-7-10(19-3)5-6-13(12)20-4/h5-7,9H,8,15H2,1-4H3
InChIKeyRCNQHBVMNVUMGY-UHFFFAOYSA-N
XLogP1.87
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazol-4-yl]methanamine
CID 82200710
[1-(2,4-dimethoxyphenyl)-5-ethyltriazol-4-yl]methanamine
CID 82197909
[1-(4-ethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine
CID 82196030
1-(2,5-dimethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 82198687
[1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 84760277
(2S)-2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylpropanenitrile
CID 94813576
[1-(4-chloro-2-methoxy-5-methylphenyl)-5-propan-2-yltriazol-4-yl]methanol
CID 82197569
[1-(2,4-dimethoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanamine
CID 82197918
5-(chloromethyl)-1-(2,5-dimethoxyphenyl)tetrazole
CID 43134747
1-(2,5-dimethoxyphenyl)-N,5-dimethyltriazol-4-amine
CID 169248346
3-(5-methoxy-2-propan-2-yloxyphenyl)triazolo[4,5-b]pyridine
CID 10334065
1-(2-methoxy-5-methylphenyl)-5-propan-2-yltriazole-4-carbonitrile
CID 82200655

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine?
The IUPAC name of [1-(2,5-dimethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine (CID 82198669) is [1-(2,5-dimethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine.
What is the SMILES notation for [1-(2,5-dimethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine?
The canonical SMILES for [1-(2,5-dimethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine is COc1ccc(OC)c(-n2nnc(CN)c2C(C)C)c1.
What is the InChIKey of [1-(2,5-dimethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine?
The InChIKey is RCNQHBVMNVUMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9(2)14-11(8-15)16-17-18(14)12-7-10(19-3)5-6-13(12)20-4/h5-7,9H,8,15H2,1-4H3.
What are the key properties of [1-(2,5-dimethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine?
[1-(2,5-dimethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine has a molecular weight of 276.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine is sourced from PubChem (CID 82198669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).