4-(4-methoxyphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine

C16H24N4O — CID 105003135

IUPAC4-(4-methoxyphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
SMILESCCCn1ncnc1CC(N)CCc1ccc(OC)cc1
InChIInChI=1S/C16H24N4O/c1-3-10-20-16(18-12-19-20)11-14(17)7-4-13-5-8-15(21-2)9-6-13/h5-6,8-9,12,14H,3-4,7,10-11,17H2,1-2H3
InChIKeyADRXOWNBJMUDQZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.20
Rot. Bonds8

About 4-(4-methoxyphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine

4-(4-methoxyphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine (PubChem CID 105003135) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
PubChem CID105003135
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name4-(4-methoxyphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
SMILESCCCn1ncnc1CC(N)CCc1ccc(OC)cc1
InChIInChI=1S/C16H24N4O/c1-3-10-20-16(18-12-19-20)11-14(17)7-4-13-5-8-15(21-2)9-6-13/h5-6,8-9,12,14H,3-4,7,10-11,17H2,1-2H3
InChIKeyADRXOWNBJMUDQZ-UHFFFAOYSA-N
XLogP2.20
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162668
4-(3-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162672
1-(2-propyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine
CID 105162643
1-(2-bromo-5-methoxyphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105162566
1-(4-chlorophenoxy)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 105162518
1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 115803356
4-(3-methylphenoxy)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162519
4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105003205
1-(4-methoxyphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030537
4-(4-methoxyphenyl)-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107063897
[1-(3-methoxyphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105205278
4,4,4-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312099

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine (CID 105003135) is 4-(4-methoxyphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine is CCCn1ncnc1CC(N)CCc1ccc(OC)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
The InChIKey is ADRXOWNBJMUDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-10-20-16(18-12-19-20)11-14(17)7-4-13-5-8-15(21-2)9-6-13/h5-6,8-9,12,14H,3-4,7,10-11,17H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
4-(4-methoxyphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine has a molecular weight of 288.39 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine is sourced from PubChem (CID 105003135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).