2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine

C16H24N4O — CID 62452374

IUPAC2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCc1cccc(OCCn2cc(CNC(C)(C)C)nn2)c1
InChIInChI=1S/C16H24N4O/c1-13-6-5-7-15(10-13)21-9-8-20-12-14(18-19-20)11-17-16(2,3)4/h5-7,10,12,17H,8-9,11H2,1-4H3
InChIKeyQBDNUFXLRUKHJP-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.55
Rot. Bonds6

About 2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine

2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine (PubChem CID 62452374) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
PubChem CID62452374
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCc1cccc(OCCn2cc(CNC(C)(C)C)nn2)c1
InChIInChI=1S/C16H24N4O/c1-13-6-5-7-15(10-13)21-9-8-20-12-14(18-19-20)11-17-16(2,3)4/h5-7,10,12,17H,8-9,11H2,1-4H3
InChIKeyQBDNUFXLRUKHJP-UHFFFAOYSA-N
XLogP2.55
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine (CID 62452374) is 2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine is Cc1cccc(OCCn2cc(CNC(C)(C)C)nn2)c1.
What is the InChIKey of 2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine?
The InChIKey is QBDNUFXLRUKHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-13-6-5-7-15(10-13)21-9-8-20-12-14(18-19-20)11-17-16(2,3)4/h5-7,10,12,17H,8-9,11H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine has a molecular weight of 288.39 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62452374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).