N-[(2-ethylphenyl)methyl]-4-(triazol-2-yl)aniline

C17H18N4 — CID 62391950

IUPACN-[(2-ethylphenyl)methyl]-4-(triazol-2-yl)aniline
SMILESCCc1ccccc1CNc1ccc(-n2nccn2)cc1
InChIInChI=1S/C17H18N4/c1-2-14-5-3-4-6-15(14)13-18-16-7-9-17(10-8-16)21-19-11-12-20-21/h3-12,18H,2,13H2,1H3
InChIKeyDCFDQEMKGABALZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.44
Rot. Bonds5

About N-[(2-ethylphenyl)methyl]-4-(triazol-2-yl)aniline

N-[(2-ethylphenyl)methyl]-4-(triazol-2-yl)aniline (PubChem CID 62391950) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-4-(triazol-2-yl)aniline.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-4-(triazol-2-yl)aniline
PubChem CID62391950
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-[(2-ethylphenyl)methyl]-4-(triazol-2-yl)aniline
SMILESCCc1ccccc1CNc1ccc(-n2nccn2)cc1
InChIInChI=1S/C17H18N4/c1-2-14-5-3-4-6-15(14)13-18-16-7-9-17(10-8-16)21-19-11-12-20-21/h3-12,18H,2,13H2,1H3
InChIKeyDCFDQEMKGABALZ-UHFFFAOYSA-N
XLogP3.44
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-dimethylphenyl)methyl]-4-(triazol-2-yl)aniline
CID 61062837
N-[(2,6-difluorophenyl)methyl]-4-(triazol-2-yl)aniline
CID 43740302
4-ethoxy-N-[(2-ethylphenyl)methyl]aniline
CID 62391033
N-(furan-2-ylmethyl)-4-(triazol-2-yl)aniline
CID 43740320
[4-[[4-(triazol-2-yl)anilino]methyl]phenyl]methanol
CID 110006513
4-[(dimethylamino)methyl]-N-[(2-ethylphenyl)methyl]aniline
CID 62392123
N-hexyl-4-(triazol-2-yl)aniline
CID 43740283
N-pentan-3-yl-4-(triazol-2-yl)aniline
CID 43740373
N-[(2-ethylphenyl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 62391060
[4-[(2-ethylphenyl)methylamino]phenyl]methanesulfonamide
CID 62391957
N-ethyl-4-[(2-ethylphenyl)methylamino]benzamide
CID 62391591
N-[(3-chloro-4-methylphenyl)methyl]-4-(triazol-2-yl)aniline
CID 106816511

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-4-(triazol-2-yl)aniline?
The IUPAC name of N-[(2-ethylphenyl)methyl]-4-(triazol-2-yl)aniline (CID 62391950) is N-[(2-ethylphenyl)methyl]-4-(triazol-2-yl)aniline.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-4-(triazol-2-yl)aniline?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-4-(triazol-2-yl)aniline is CCc1ccccc1CNc1ccc(-n2nccn2)cc1.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-4-(triazol-2-yl)aniline?
The InChIKey is DCFDQEMKGABALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-2-14-5-3-4-6-15(14)13-18-16-7-9-17(10-8-16)21-19-11-12-20-21/h3-12,18H,2,13H2,1H3.
What are the key properties of N-[(2-ethylphenyl)methyl]-4-(triazol-2-yl)aniline?
N-[(2-ethylphenyl)methyl]-4-(triazol-2-yl)aniline has a molecular weight of 278.36 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-4-(triazol-2-yl)aniline is sourced from PubChem (CID 62391950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).