N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine

C16H24N4O — CID 50969678

IUPACN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine
SMILESCCn1ncnc1CN(CCOC)Cc1ccc(C)cc1
InChIInChI=1S/C16H24N4O/c1-4-20-16(17-13-18-20)12-19(9-10-21-3)11-15-7-5-14(2)6-8-15/h5-8,13H,4,9-12H2,1-3H3
InChIKeyMQDFBMZEPQVZQK-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.26
Rot. Bonds8

About N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine

N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine (PubChem CID 50969678) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine
PubChem CID50969678
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC NameN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine
SMILESCCn1ncnc1CN(CCOC)Cc1ccc(C)cc1
InChIInChI=1S/C16H24N4O/c1-4-20-16(17-13-18-20)12-19(9-10-21-3)11-15-7-5-14(2)6-8-15/h5-8,13H,4,9-12H2,1-3H3
InChIKeyMQDFBMZEPQVZQK-UHFFFAOYSA-N
XLogP2.26
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine (CID 50969678) is N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine is CCn1ncnc1CN(CCOC)Cc1ccc(C)cc1.
What is the InChIKey of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine?
The InChIKey is MQDFBMZEPQVZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-20-16(17-13-18-20)12-19(9-10-21-3)11-15-7-5-14(2)6-8-15/h5-8,13H,4,9-12H2,1-3H3.
What are the key properties of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine?
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine has a molecular weight of 288.40 g/mol, XLogP of 2.26, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 50969678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).