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

C15H20N4O — CID 114689023

IUPACN-methyl-2-(oxolan-3-yl)-1-(3-phenyltriazol-4-yl)ethanamine
SMILESCNC(CC1CCOC1)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H20N4O/c1-16-14(9-12-7-8-20-11-12)15-10-17-18-19(15)13-5-3-2-4-6-13/h2-6,10,12,14,16H,7-9,11H2,1H3
InChIKeyPBNAYZFRZJBPOH-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.95
Rot. Bonds5

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

N-methyl-2-(oxolan-3-yl)-1-(3-phenyltriazol-4-yl)ethanamine (PubChem CID 114689023) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-methyl-2-(oxolan-3-yl)-1-(3-phenyltriazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(oxolan-3-yl)-1-(3-phenyltriazol-4-yl)ethanamine
PubChem CID114689023
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-methyl-2-(oxolan-3-yl)-1-(3-phenyltriazol-4-yl)ethanamine
SMILESCNC(CC1CCOC1)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H20N4O/c1-16-14(9-12-7-8-20-11-12)15-10-17-18-19(15)13-5-3-2-4-6-13/h2-6,10,12,14,16H,7-9,11H2,1H3
InChIKeyPBNAYZFRZJBPOH-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine
CID 114687122
1-(2-ethylpyrazol-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 103987048
1-(furan-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 103987114
N-methyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine
CID 103986918
N-methyl-1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanamine
CID 114687507
N-methyl-1-(1-methylpyrazol-4-yl)-2-(oxolan-3-yl)ethanamine
CID 103986903
3-[1-(methylamino)-2-(oxolan-3-yl)ethyl]pyridin-4-amine
CID 103987130
N-methyl-1-(3-phenyltriazol-4-yl)-3-propoxypropan-1-amine
CID 105184360
N-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687204
5-methyl-3-[1-(methylamino)-2-(oxolan-3-yl)ethyl]pyridin-2-amine
CID 113362130
N-methyl-1-(5-methyloxolan-2-yl)-1-(3-phenyltriazol-4-yl)methanamine
CID 105043162
2-cyclopentyl-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 105043854

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxolan-3-yl)-1-(3-phenyltriazol-4-yl)ethanamine?
The IUPAC name of N-methyl-2-(oxolan-3-yl)-1-(3-phenyltriazol-4-yl)ethanamine (CID 114689023) is N-methyl-2-(oxolan-3-yl)-1-(3-phenyltriazol-4-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(oxolan-3-yl)-1-(3-phenyltriazol-4-yl)ethanamine?
The canonical SMILES for N-methyl-2-(oxolan-3-yl)-1-(3-phenyltriazol-4-yl)ethanamine is CNC(CC1CCOC1)c1cnnn1-c1ccccc1.
What is the InChIKey of N-methyl-2-(oxolan-3-yl)-1-(3-phenyltriazol-4-yl)ethanamine?
The InChIKey is PBNAYZFRZJBPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-16-14(9-12-7-8-20-11-12)15-10-17-18-19(15)13-5-3-2-4-6-13/h2-6,10,12,14,16H,7-9,11H2,1H3.
What are the key properties of N-methyl-2-(oxolan-3-yl)-1-(3-phenyltriazol-4-yl)ethanamine?
N-methyl-2-(oxolan-3-yl)-1-(3-phenyltriazol-4-yl)ethanamine has a molecular weight of 272.35 g/mol, XLogP of 1.95, 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-3-yl)-1-(3-phenyltriazol-4-yl)ethanamine is sourced from PubChem (CID 114689023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).