N-methyl-2-(1-methyltriazol-4-yl)-1-phenylethanamine

C12H16N4 — CID 107048557

IUPACN-methyl-2-(1-methyltriazol-4-yl)-1-phenylethanamine
SMILESCNC(Cc1cn(C)nn1)c1ccccc1
InChIInChI=1S/C12H16N4/c1-13-12(10-6-4-3-5-7-10)8-11-9-16(2)15-14-11/h3-7,9,12-13H,8H2,1-2H3
InChIKeyNKZIPCYSDGALEI-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.32
Rot. Bonds4

About N-methyl-2-(1-methyltriazol-4-yl)-1-phenylethanamine

N-methyl-2-(1-methyltriazol-4-yl)-1-phenylethanamine (PubChem CID 107048557) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-methyl-2-(1-methyltriazol-4-yl)-1-phenylethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-methyltriazol-4-yl)-1-phenylethanamine
PubChem CID107048557
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-methyl-2-(1-methyltriazol-4-yl)-1-phenylethanamine
SMILESCNC(Cc1cn(C)nn1)c1ccccc1
InChIInChI=1S/C12H16N4/c1-13-12(10-6-4-3-5-7-10)8-11-9-16(2)15-14-11/h3-7,9,12-13H,8H2,1-2H3
InChIKeyNKZIPCYSDGALEI-UHFFFAOYSA-N
XLogP1.32
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(1-methyltriazol-4-yl)-3-phenylpentan-2-amine
CID 107064091
1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107063923
N-[(1-methyltriazol-4-yl)methyl]-1-phenylpropan-1-amine
CID 62755644
1-(2,3-dichlorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064418
1-(2,3-difluorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064230
1-(5-fluoro-2-pyridinyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107050222
(1R)-N-[(1-methyltriazol-4-yl)methyl]-1-phenylethanamine
CID 79032580
(1S)-N-[(1-methyltriazol-4-yl)methyl]-1-phenylethanamine
CID 79033159
N-methyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanamine
CID 107049115
1-(2,5-dichlorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107063841
1-(2-bromo-5-methylphenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064056
1-(4-bromophenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107048451

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methyltriazol-4-yl)-1-phenylethanamine?
The IUPAC name of N-methyl-2-(1-methyltriazol-4-yl)-1-phenylethanamine (CID 107048557) is N-methyl-2-(1-methyltriazol-4-yl)-1-phenylethanamine.
What is the SMILES notation for N-methyl-2-(1-methyltriazol-4-yl)-1-phenylethanamine?
The canonical SMILES for N-methyl-2-(1-methyltriazol-4-yl)-1-phenylethanamine is CNC(Cc1cn(C)nn1)c1ccccc1.
What is the InChIKey of N-methyl-2-(1-methyltriazol-4-yl)-1-phenylethanamine?
The InChIKey is NKZIPCYSDGALEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-13-12(10-6-4-3-5-7-10)8-11-9-16(2)15-14-11/h3-7,9,12-13H,8H2,1-2H3.
What are the key properties of N-methyl-2-(1-methyltriazol-4-yl)-1-phenylethanamine?
N-methyl-2-(1-methyltriazol-4-yl)-1-phenylethanamine has a molecular weight of 216.29 g/mol, XLogP of 1.32, 4 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-phenylethanamine is sourced from PubChem (CID 107048557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).