2-methyl-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline

C16H17N5 — CID 61378776

IUPAC2-methyl-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline
SMILESCc1ccc(-c2nnnn2Cc2ccccc2C)cc1N
InChIInChI=1S/C16H17N5/c1-11-5-3-4-6-14(11)10-21-16(18-19-20-21)13-8-7-12(2)15(17)9-13/h3-9H,10,17H2,1-2H3
InChIKeyFMTFSUSEPSIYAH-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.59
Rot. Bonds3

About 2-methyl-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline

2-methyl-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline (PubChem CID 61378776) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-methyl-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-methyl-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline
PubChem CID61378776
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name2-methyl-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline
SMILESCc1ccc(-c2nnnn2Cc2ccccc2C)cc1N
InChIInChI=1S/C16H17N5/c1-11-5-3-4-6-14(11)10-21-16(18-19-20-21)13-8-7-12(2)15(17)9-13/h3-9H,10,17H2,1-2H3
InChIKeyFMTFSUSEPSIYAH-UHFFFAOYSA-N
XLogP2.59
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline
CID 61378377
5-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]-2-methylaniline
CID 61377583
5-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]-2-methylaniline
CID 61376820
5-(1-butyltetrazol-5-yl)-2-methylaniline
CID 61351684
5-[1-[3-(dimethylamino)propyl]tetrazol-5-yl]-2-methylaniline
CID 82228499
5-(1-benzyltetrazol-5-yl)-2-bromoaniline
CID 61354077
2-methyl-5-[1-(5,5,5-trifluoropentyl)tetrazol-5-yl]aniline
CID 115521931
5-[1-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine
CID 61378704
2-methyl-5-[1-(4-methylpentan-2-yl)tetrazol-5-yl]aniline
CID 61351832
2-methyl-5-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline
CID 113485905
5-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-2-methylaniline
CID 104765217
5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-amine
CID 7017840

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline?
The IUPAC name of 2-methyl-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline (CID 61378776) is 2-methyl-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline.
What is the SMILES notation for 2-methyl-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline?
The canonical SMILES for 2-methyl-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline is Cc1ccc(-c2nnnn2Cc2ccccc2C)cc1N.
What is the InChIKey of 2-methyl-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline?
The InChIKey is FMTFSUSEPSIYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-11-5-3-4-6-14(11)10-21-16(18-19-20-21)13-8-7-12(2)15(17)9-13/h3-9H,10,17H2,1-2H3.
What are the key properties of 2-methyl-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline?
2-methyl-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline has a molecular weight of 279.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline is sourced from PubChem (CID 61378776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).