1-(2,3-dimethylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine

C15H22N4 — CID 104999756

IUPAC1-(2,3-dimethylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCc1cccc(C(N)Cc2ncnn2C(C)C)c1C
InChIInChI=1S/C15H22N4/c1-10(2)19-15(17-9-18-19)8-14(16)13-7-5-6-11(3)12(13)4/h5-7,9-10,14H,8,16H2,1-4H3
InChIKeyPYMGBKJDTSDZIN-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.72
Rot. Bonds4

About 1-(2,3-dimethylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine

1-(2,3-dimethylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 104999756) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
PubChem CID104999756
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-(2,3-dimethylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCc1cccc(C(N)Cc2ncnn2C(C)C)c1C
InChIInChI=1S/C15H22N4/c1-10(2)19-15(17-9-18-19)8-14(16)13-7-5-6-11(3)12(13)4/h5-7,9-10,14H,8,16H2,1-4H3
InChIKeyPYMGBKJDTSDZIN-UHFFFAOYSA-N
XLogP2.72
TPSA56.73 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

2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 104999438
1-(3-methylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104804449
1-(3,6-dimethylpyridazin-4-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 105160449
1-(4-tert-butylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999770
4-(2,3-dimethylphenyl)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine
CID 154845389
1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 104999487
1-[3-(difluoromethoxy)phenyl]-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999820
1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
CID 62548875
1-(2,3-dimethylphenyl)-3-methylbutan-1-amine
CID 584234
1-(5-ethylfuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999574
(2S)-2-amino-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propanoic acid
CID 106702633
[1-(2-methoxyphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105191233

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (CID 104999756) is 1-(2,3-dimethylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is Cc1cccc(C(N)Cc2ncnn2C(C)C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is PYMGBKJDTSDZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-10(2)19-15(17-9-18-19)8-14(16)13-7-5-6-11(3)12(13)4/h5-7,9-10,14H,8,16H2,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
1-(2,3-dimethylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine 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 1-(2,3-dimethylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 104999756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).