N-methyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanamine

C15H20N4 — CID 107049115

IUPACN-methyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanamine
SMILESCNC(Cc1cn(C)nn1)C1(c2ccccc2)CC1
InChIInChI=1S/C15H20N4/c1-16-14(10-13-11-19(2)18-17-13)15(8-9-15)12-6-4-3-5-7-12/h3-7,11,14,16H,8-10H2,1-2H3
InChIKeyLFQFEFRXPDWPLA-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.68
Rot. Bonds5

About N-methyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanamine

N-methyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanamine (PubChem CID 107049115) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-methyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanamine
PubChem CID107049115
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-methyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanamine
SMILESCNC(Cc1cn(C)nn1)C1(c2ccccc2)CC1
InChIInChI=1S/C15H20N4/c1-16-14(10-13-11-19(2)18-17-13)15(8-9-15)12-6-4-3-5-7-12/h3-7,11,14,16H,8-10H2,1-2H3
InChIKeyLFQFEFRXPDWPLA-UHFFFAOYSA-N
XLogP1.68
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclobutyl)ethanamine
CID 107049129
N-methyl-2-(1-methylpyrazol-3-yl)-1-(1-phenylcyclobutyl)ethanamine
CID 82877218
N-methyl-2-(1-methyltriazol-4-yl)-1-phenylethanamine
CID 107048557
N-methyl-1-(2-methyloxan-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107050468
N-methyl-2-(1-methyltriazol-4-yl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine
CID 107049969
2-(4-iodophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine
CID 65477303
2-(2-bromophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine
CID 63080919
N-methyl-1-(1-methyltriazol-4-yl)-3-phenylpentan-2-amine
CID 107064091
1-(2-methoxyphenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048713
2-(furan-3-yl)-N-methyl-1-(4-phenyloxan-4-yl)ethanamine
CID 83178198
2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanone
CID 107047017
2-(2,5-dichlorophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine
CID 65321924

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanamine?
The IUPAC name of N-methyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanamine (CID 107049115) is N-methyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanamine.
What is the SMILES notation for N-methyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanamine?
The canonical SMILES for N-methyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanamine is CNC(Cc1cn(C)nn1)C1(c2ccccc2)CC1.
What is the InChIKey of N-methyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanamine?
The InChIKey is LFQFEFRXPDWPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-16-14(10-13-11-19(2)18-17-13)15(8-9-15)12-6-4-3-5-7-12/h3-7,11,14,16H,8-10H2,1-2H3.
What are the key properties of N-methyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanamine?
N-methyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanamine has a molecular weight of 256.35 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanamine is sourced from PubChem (CID 107049115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).