N-[(3-fluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline

C15H14FN5 — CID 122191203

IUPACN-[(3-fluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline
SMILESFc1cccc(CN(Cc2nn[nH]n2)c2ccccc2)c1
InChIInChI=1S/C15H14FN5/c16-13-6-4-5-12(9-13)10-21(11-15-17-19-20-18-15)14-7-2-1-3-8-14/h1-9H,10-11H2,(H,17,18,19,20)
InChIKeyMTMBHUBKSGPBCL-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.55
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline

N-[(3-fluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline (PubChem CID 122191203) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline
PubChem CID122191203
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC NameN-[(3-fluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline
SMILESFc1cccc(CN(Cc2nn[nH]n2)c2ccccc2)c1
InChIInChI=1S/C15H14FN5/c16-13-6-4-5-12(9-13)10-21(11-15-17-19-20-18-15)14-7-2-1-3-8-14/h1-9H,10-11H2,(H,17,18,19,20)
InChIKeyMTMBHUBKSGPBCL-UHFFFAOYSA-N
XLogP2.55
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline (CID 122191203) is N-[(3-fluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline is Fc1cccc(CN(Cc2nn[nH]n2)c2ccccc2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline?
The InChIKey is MTMBHUBKSGPBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5/c16-13-6-4-5-12(9-13)10-21(11-15-17-19-20-18-15)14-7-2-1-3-8-14/h1-9H,10-11H2,(H,17,18,19,20).
What are the key properties of N-[(3-fluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline?
N-[(3-fluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline has a molecular weight of 283.31 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline is sourced from PubChem (CID 122191203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).