N-[[3-(4-ethylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine

C15H22N4 — CID 107451133

IUPACN-[[3-(4-ethylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1ccc(-n2nncc2CNC(C)(C)C)cc1
InChIInChI=1S/C15H22N4/c1-5-12-6-8-13(9-7-12)19-14(11-17-18-19)10-16-15(2,3)4/h6-9,11,16H,5,10H2,1-4H3
InChIKeyCRLVRFXDVWBXDT-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.72
Rot. Bonds4

About N-[[3-(4-ethylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[3-(4-ethylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107451133) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[[3-(4-ethylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(4-ethylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID107451133
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-[[3-(4-ethylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1ccc(-n2nncc2CNC(C)(C)C)cc1
InChIInChI=1S/C15H22N4/c1-5-12-6-8-13(9-7-12)19-14(11-17-18-19)10-16-15(2,3)4/h6-9,11,16H,5,10H2,1-4H3
InChIKeyCRLVRFXDVWBXDT-UHFFFAOYSA-N
XLogP2.72
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(4-bromo-3-methoxyphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107623895
3-[5-[(tert-butylamino)methyl]triazol-1-yl]benzonitrile
CID 107451407
N-[[3-(2,6-difluorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107451253
N-[[3-(2-bromo-5-fluorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107628574
4-[5-(methylaminomethyl)triazol-1-yl]phenol
CID 117167374
N-[[3-(2,6-difluoro-3-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107451818
N-[[3-(2,3-dichlorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107451264
N-[[3-(4-ethoxyphenyl)triazol-4-yl]methyl]propan-2-amine
CID 107450996
N-[[3-(2-bromo-5-chlorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107451783
ethane;1-(4-ethylphenyl)-5-(oxan-2-yloxymethyl)triazole
CID 145305024
N-[(3-phenyltriazol-4-yl)methyl]propan-1-amine
CID 114687766
N-[[3-(4-bromo-5-fluoro-2-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107451904

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-ethylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(4-ethylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine (CID 107451133) is N-[[3-(4-ethylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(4-ethylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(4-ethylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine is CCc1ccc(-n2nncc2CNC(C)(C)C)cc1.
What is the InChIKey of N-[[3-(4-ethylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is CRLVRFXDVWBXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-5-12-6-8-13(9-7-12)19-14(11-17-18-19)10-16-15(2,3)4/h6-9,11,16H,5,10H2,1-4H3.
What are the key properties of N-[[3-(4-ethylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[3-(4-ethylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 258.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-ethylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107451133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).