1-(4-chlorophenoxy)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine

C14H19ClN4O — CID 105162518

IUPAC1-(4-chlorophenoxy)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCCCn1ncnc1CC(N)COc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN4O/c1-2-7-19-14(17-10-18-19)8-12(16)9-20-13-5-3-11(15)4-6-13/h3-6,10,12H,2,7-9,16H2,1H3
InChIKeyYNZQIUBHZCKKJF-UHFFFAOYSA-N
MW294.79 g/mol
LogP2.29
Rot. Bonds7

About 1-(4-chlorophenoxy)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine

1-(4-chlorophenoxy)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine (PubChem CID 105162518) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
PubChem CID105162518
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name1-(4-chlorophenoxy)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCCCn1ncnc1CC(N)COc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN4O/c1-2-7-19-14(17-10-18-19)8-12(16)9-20-13-5-3-11(15)4-6-13/h3-6,10,12H,2,7-9,16H2,1H3
InChIKeyYNZQIUBHZCKKJF-UHFFFAOYSA-N
XLogP2.29
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenoxy)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
CID 105160739
4-(4-methoxyphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105003135
1-(4-chlorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-ol
CID 66144345
4-(4-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162668
1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-amine
CID 105101373
1-(4-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine
CID 105160098
1-(2,3-difluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003143
1-(2-propyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine
CID 105162643
1,1,1-trifluoro-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 105002958
4-(3-methylphenoxy)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162519
1-(4-chlorophenoxy)-3-propoxypropan-2-amine
CID 105165280
4-cyclopentyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105003205

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine?
The IUPAC name of 1-(4-chlorophenoxy)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine (CID 105162518) is 1-(4-chlorophenoxy)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenoxy)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine is CCCn1ncnc1CC(N)COc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine?
The InChIKey is YNZQIUBHZCKKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-2-7-19-14(17-10-18-19)8-12(16)9-20-13-5-3-11(15)4-6-13/h3-6,10,12H,2,7-9,16H2,1H3.
What are the key properties of 1-(4-chlorophenoxy)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine?
1-(4-chlorophenoxy)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine has a molecular weight of 294.79 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine is sourced from PubChem (CID 105162518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).