1-ethoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine

C14H20N4O — CID 63643148

IUPAC1-ethoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine
SMILESCCOCC(C)NCc1n[nH]nc1-c1ccccc1
InChIInChI=1S/C14H20N4O/c1-3-19-10-11(2)15-9-13-14(17-18-16-13)12-7-5-4-6-8-12/h4-8,11,15H,3,9-10H2,1-2H3,(H,16,17,18)
InChIKeyOACHOHDVUPQKFM-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.99
Rot. Bonds7

About 1-ethoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine

1-ethoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine (PubChem CID 63643148) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-ethoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine
PubChem CID63643148
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-ethoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine
SMILESCCOCC(C)NCc1n[nH]nc1-c1ccccc1
InChIInChI=1S/C14H20N4O/c1-3-19-10-11(2)15-9-13-14(17-18-16-13)12-7-5-4-6-8-12/h4-8,11,15H,3,9-10H2,1-2H3,(H,16,17,18)
InChIKeyOACHOHDVUPQKFM-UHFFFAOYSA-N
XLogP1.99
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine
CID 63644369
N-(2-methylpropoxy)-1-(5-phenyl-2H-triazol-4-yl)methanamine
CID 82709211
N-[(5-phenyl-2H-triazol-4-yl)methyl]pentan-3-amine
CID 63643657
methyl (2S)-2-[(5-phenyl-2H-triazol-4-yl)methylamino]propanoate
CID 63643313
(2S)-2-[(5-phenyl-2H-triazol-4-yl)methylamino]butan-1-ol
CID 98571652
N-ethyl-2-[(5-phenyl-2H-triazol-4-yl)methylamino]propanamide
CID 63641906
N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 63643841
N-[(5-phenyl-2H-triazol-4-yl)methyl]hex-1-yn-3-amine
CID 106225752
4-ethyl-5-phenyl-2H-triazole
CID 15501643
N-(2-methoxyethoxy)-1-(5-phenyl-2H-triazol-4-yl)methanamine
CID 82712292
4-phenyl-5-propyl-2H-triazole
CID 66772707
2-ethyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]hexan-1-amine
CID 63642785

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine?
The IUPAC name of 1-ethoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine (CID 63643148) is 1-ethoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-ethoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for 1-ethoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine is CCOCC(C)NCc1n[nH]nc1-c1ccccc1.
What is the InChIKey of 1-ethoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine?
The InChIKey is OACHOHDVUPQKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-19-10-11(2)15-9-13-14(17-18-16-13)12-7-5-4-6-8-12/h4-8,11,15H,3,9-10H2,1-2H3,(H,16,17,18).
What are the key properties of 1-ethoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine?
1-ethoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine has a molecular weight of 260.34 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-[(5-phenyl-2H-triazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 63643148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).