N-[(4-fluoro-2-methylphenyl)methyl]-2-(tetrazol-1-yl)aniline

C15H14FN5 — CID 62135429

IUPACN-[(4-fluoro-2-methylphenyl)methyl]-2-(tetrazol-1-yl)aniline
SMILESCc1cc(F)ccc1CNc1ccccc1-n1cnnn1
InChIInChI=1S/C15H14FN5/c1-11-8-13(16)7-6-12(11)9-17-14-4-2-3-5-15(14)21-10-18-19-20-21/h2-8,10,17H,9H2,1H3
InChIKeySQOYBAYCMPVQMT-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.72
Rot. Bonds4

About N-[(4-fluoro-2-methylphenyl)methyl]-2-(tetrazol-1-yl)aniline

N-[(4-fluoro-2-methylphenyl)methyl]-2-(tetrazol-1-yl)aniline (PubChem CID 62135429) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)methyl]-2-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)methyl]-2-(tetrazol-1-yl)aniline
PubChem CID62135429
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC NameN-[(4-fluoro-2-methylphenyl)methyl]-2-(tetrazol-1-yl)aniline
SMILESCc1cc(F)ccc1CNc1ccccc1-n1cnnn1
InChIInChI=1S/C15H14FN5/c1-11-8-13(16)7-6-12(11)9-17-14-4-2-3-5-15(14)21-10-18-19-20-21/h2-8,10,17H,9H2,1H3
InChIKeySQOYBAYCMPVQMT-UHFFFAOYSA-N
XLogP2.72
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline
CID 62125415
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 43702314
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 115749259
N-[(1-methyltriazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 62755418
N-(3-methylbutyl)-2-(tetrazol-1-yl)aniline
CID 43702180
N-[(4,5-dibromofuran-2-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 62085552
N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705670
2-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62759060
N-(cyclopenten-1-ylmethyl)-2-(tetrazol-1-yl)aniline
CID 146144127
3-[[2-(tetrazol-1-yl)anilino]methyl]benzonitrile
CID 43702183
N-(3-methylsulfanylpropyl)-2-(tetrazol-1-yl)aniline
CID 43702070
N-[(3-fluorophenyl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700188

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-2-(tetrazol-1-yl)aniline?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-2-(tetrazol-1-yl)aniline (CID 62135429) is N-[(4-fluoro-2-methylphenyl)methyl]-2-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)methyl]-2-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)methyl]-2-(tetrazol-1-yl)aniline is Cc1cc(F)ccc1CNc1ccccc1-n1cnnn1.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)methyl]-2-(tetrazol-1-yl)aniline?
The InChIKey is SQOYBAYCMPVQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5/c1-11-8-13(16)7-6-12(11)9-17-14-4-2-3-5-15(14)21-10-18-19-20-21/h2-8,10,17H,9H2,1H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)methyl]-2-(tetrazol-1-yl)aniline?
N-[(4-fluoro-2-methylphenyl)methyl]-2-(tetrazol-1-yl)aniline has a molecular weight of 283.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)methyl]-2-(tetrazol-1-yl)aniline is sourced from PubChem (CID 62135429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).