N,N-dimethyl-2-[5-methyl-1-(2-phenylethyl)triazol-4-yl]aniline

C19H22N4 — CID 58856363

IUPACN,N-dimethyl-2-[5-methyl-1-(2-phenylethyl)triazol-4-yl]aniline
SMILESCc1c(-c2ccccc2N(C)C)nnn1CCc1ccccc1
InChIInChI=1S/C19H22N4/c1-15-19(17-11-7-8-12-18(17)22(2)3)20-21-23(15)14-13-16-9-5-4-6-10-16/h4-12H,13-14H2,1-3H3
InChIKeyHXQDYYZIVLBNBG-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.56
Rot. Bonds5

About N,N-dimethyl-2-[5-methyl-1-(2-phenylethyl)triazol-4-yl]aniline

N,N-dimethyl-2-[5-methyl-1-(2-phenylethyl)triazol-4-yl]aniline (PubChem CID 58856363) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-methyl-1-(2-phenylethyl)triazol-4-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-methyl-1-(2-phenylethyl)triazol-4-yl]aniline
PubChem CID58856363
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC NameN,N-dimethyl-2-[5-methyl-1-(2-phenylethyl)triazol-4-yl]aniline
SMILESCc1c(-c2ccccc2N(C)C)nnn1CCc1ccccc1
InChIInChI=1S/C19H22N4/c1-15-19(17-11-7-8-12-18(17)22(2)3)20-21-23(15)14-13-16-9-5-4-6-10-16/h4-12H,13-14H2,1-3H3
InChIKeyHXQDYYZIVLBNBG-UHFFFAOYSA-N
XLogP3.56
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-methyl-1-(2-phenylethyl)triazol-4-yl]aniline?
The IUPAC name of N,N-dimethyl-2-[5-methyl-1-(2-phenylethyl)triazol-4-yl]aniline (CID 58856363) is N,N-dimethyl-2-[5-methyl-1-(2-phenylethyl)triazol-4-yl]aniline.
What is the SMILES notation for N,N-dimethyl-2-[5-methyl-1-(2-phenylethyl)triazol-4-yl]aniline?
The canonical SMILES for N,N-dimethyl-2-[5-methyl-1-(2-phenylethyl)triazol-4-yl]aniline is Cc1c(-c2ccccc2N(C)C)nnn1CCc1ccccc1.
What is the InChIKey of N,N-dimethyl-2-[5-methyl-1-(2-phenylethyl)triazol-4-yl]aniline?
The InChIKey is HXQDYYZIVLBNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-15-19(17-11-7-8-12-18(17)22(2)3)20-21-23(15)14-13-16-9-5-4-6-10-16/h4-12H,13-14H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[5-methyl-1-(2-phenylethyl)triazol-4-yl]aniline?
N,N-dimethyl-2-[5-methyl-1-(2-phenylethyl)triazol-4-yl]aniline has a molecular weight of 306.41 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-methyl-1-(2-phenylethyl)triazol-4-yl]aniline is sourced from PubChem (CID 58856363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).