N,2-dimethyl-3-(2-methyl-1,2,4-triazol-3-yl)-1-phenylpropan-1-amine

C14H20N4 — CID 104845311

IUPACN,2-dimethyl-3-(2-methyl-1,2,4-triazol-3-yl)-1-phenylpropan-1-amine
SMILESCNC(c1ccccc1)C(C)Cc1ncnn1C
InChIInChI=1S/C14H20N4/c1-11(9-13-16-10-17-18(13)3)14(15-2)12-7-5-4-6-8-12/h4-8,10-11,14-15H,9H2,1-3H3
InChIKeyHWJKDNXBBIDDFC-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.95
Rot. Bonds5

About N,2-dimethyl-3-(2-methyl-1,2,4-triazol-3-yl)-1-phenylpropan-1-amine

N,2-dimethyl-3-(2-methyl-1,2,4-triazol-3-yl)-1-phenylpropan-1-amine (PubChem CID 104845311) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N,2-dimethyl-3-(2-methyl-1,2,4-triazol-3-yl)-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-3-(2-methyl-1,2,4-triazol-3-yl)-1-phenylpropan-1-amine
PubChem CID104845311
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN,2-dimethyl-3-(2-methyl-1,2,4-triazol-3-yl)-1-phenylpropan-1-amine
SMILESCNC(c1ccccc1)C(C)Cc1ncnn1C
InChIInChI=1S/C14H20N4/c1-11(9-13-16-10-17-18(13)3)14(15-2)12-7-5-4-6-8-12/h4-8,10-11,14-15H,9H2,1-3H3
InChIKeyHWJKDNXBBIDDFC-UHFFFAOYSA-N
XLogP1.95
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylphenyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997858
N-methyl-1-(2-methylpyrazol-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 105159617
1-(2-iodophenyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997588
N-ethyl-2,3-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine
CID 81015585
N,3,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 104997587
1-(2,6-dimethylphenyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 114027109
N-tert-butyl-4-(2-methyl-1,2,4-triazol-3-yl)-2-phenylbutan-1-amine
CID 81028003
2-(3-bromophenyl)-N-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 79442684
3-(2,6-dichlorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine
CID 104845376
N-methyl-1-(2-methylpyrazol-3-yl)-2-phenylpropan-1-amine
CID 114029100
1-(2,6-dimethoxyphenyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997696
N-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pent-4-en-2-amine
CID 116660545

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(2-methyl-1,2,4-triazol-3-yl)-1-phenylpropan-1-amine?
The IUPAC name of N,2-dimethyl-3-(2-methyl-1,2,4-triazol-3-yl)-1-phenylpropan-1-amine (CID 104845311) is N,2-dimethyl-3-(2-methyl-1,2,4-triazol-3-yl)-1-phenylpropan-1-amine.
What is the SMILES notation for N,2-dimethyl-3-(2-methyl-1,2,4-triazol-3-yl)-1-phenylpropan-1-amine?
The canonical SMILES for N,2-dimethyl-3-(2-methyl-1,2,4-triazol-3-yl)-1-phenylpropan-1-amine is CNC(c1ccccc1)C(C)Cc1ncnn1C.
What is the InChIKey of N,2-dimethyl-3-(2-methyl-1,2,4-triazol-3-yl)-1-phenylpropan-1-amine?
The InChIKey is HWJKDNXBBIDDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-11(9-13-16-10-17-18(13)3)14(15-2)12-7-5-4-6-8-12/h4-8,10-11,14-15H,9H2,1-3H3.
What are the key properties of N,2-dimethyl-3-(2-methyl-1,2,4-triazol-3-yl)-1-phenylpropan-1-amine?
N,2-dimethyl-3-(2-methyl-1,2,4-triazol-3-yl)-1-phenylpropan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(2-methyl-1,2,4-triazol-3-yl)-1-phenylpropan-1-amine is sourced from PubChem (CID 104845311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).