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

C16H24N4O — CID 105162519

IUPAC4-(3-methylphenoxy)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
SMILESCCCn1ncnc1CC(N)CCOc1cccc(C)c1
InChIInChI=1S/C16H24N4O/c1-3-8-20-16(18-12-19-20)11-14(17)7-9-21-15-6-4-5-13(2)10-15/h4-6,10,12,14H,3,7-9,11,17H2,1-2H3
InChIKeyMDZIZSBSNCGARI-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.34
Rot. Bonds8

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

4-(3-methylphenoxy)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine (PubChem CID 105162519) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-(3-methylphenoxy)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name4-(3-methylphenoxy)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
PubChem CID105162519
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name4-(3-methylphenoxy)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
SMILESCCCn1ncnc1CC(N)CCOc1cccc(C)c1
InChIInChI=1S/C16H24N4O/c1-3-8-20-16(18-12-19-20)11-14(17)7-9-21-15-6-4-5-13(2)10-15/h4-6,10,12,14H,3,7-9,11,17H2,1-2H3
InChIKeyMDZIZSBSNCGARI-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162672
4-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162668
5-[3-bromo-2-(3-methylphenyl)propyl]-1-propyl-1,2,4-triazole
CID 79424338
4-(4-methoxyphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105003135
2-(3-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol
CID 79424033
4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105003205
4-(3-methylphenoxy)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol
CID 105107906
1-(4-chlorophenoxy)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 105162518
1-(2-methoxy-5-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105002995
4-methyl-1-(3-methylphenoxy)hexan-3-amine
CID 105170434
4-ethyl-1-(3-methylphenoxy)hexan-3-amine
CID 105168458
1-(5-methyl-3-pyridinyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105162641

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenoxy)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
The IUPAC name of 4-(3-methylphenoxy)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine (CID 105162519) is 4-(3-methylphenoxy)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine.
What is the SMILES notation for 4-(3-methylphenoxy)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
The canonical SMILES for 4-(3-methylphenoxy)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine is CCCn1ncnc1CC(N)CCOc1cccc(C)c1.
What is the InChIKey of 4-(3-methylphenoxy)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
The InChIKey is MDZIZSBSNCGARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-8-20-16(18-12-19-20)11-14(17)7-9-21-15-6-4-5-13(2)10-15/h4-6,10,12,14H,3,7-9,11,17H2,1-2H3.
What are the key properties of 4-(3-methylphenoxy)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine?
4-(3-methylphenoxy)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine has a molecular weight of 288.39 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenoxy)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine is sourced from PubChem (CID 105162519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).