N-methyl-2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine

C15H20N4O — CID 114687122

IUPACN-methyl-2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine
SMILESCNC(CC1CCCO1)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H20N4O/c1-16-14(10-13-8-5-9-20-13)15-11-17-18-19(15)12-6-3-2-4-7-12/h2-4,6-7,11,13-14,16H,5,8-10H2,1H3
InChIKeyMBEWLTNFNDTBJJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.10
Rot. Bonds5

About N-methyl-2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine

N-methyl-2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine (PubChem CID 114687122) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-methyl-2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine
PubChem CID114687122
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-methyl-2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine
SMILESCNC(CC1CCCO1)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H20N4O/c1-16-14(10-13-8-5-9-20-13)15-11-17-18-19(15)12-6-3-2-4-7-12/h2-4,6-7,11,13-14,16H,5,8-10H2,1H3
InChIKeyMBEWLTNFNDTBJJ-UHFFFAOYSA-N
XLogP2.10
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine
CID 114686983
N-methyl-2-(oxolan-3-yl)-1-(3-phenyltriazol-4-yl)ethanamine
CID 114689023
N-methyl-1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanamine
CID 66272484
N-methyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 62800663
N-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687204
3-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)propan-1-one
CID 115806425
N-methyl-1-naphthalen-2-yl-2-(oxolan-2-yl)ethanamine
CID 55104166
N-methyl-1-(2-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine
CID 102831896
1-(1-benzofuran-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 55180087
1-(3-phenyltriazol-4-yl)butylhydrazine
CID 105202328
1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 63943419
N-[2-(oxan-2-yl)-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114689062

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine?
The IUPAC name of N-methyl-2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine (CID 114687122) is N-methyl-2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine?
The canonical SMILES for N-methyl-2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine is CNC(CC1CCCO1)c1cnnn1-c1ccccc1.
What is the InChIKey of N-methyl-2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine?
The InChIKey is MBEWLTNFNDTBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-16-14(10-13-8-5-9-20-13)15-11-17-18-19(15)12-6-3-2-4-7-12/h2-4,6-7,11,13-14,16H,5,8-10H2,1H3.
What are the key properties of N-methyl-2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine?
N-methyl-2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine has a molecular weight of 272.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine is sourced from PubChem (CID 114687122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).