N-[1-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)aniline

C15H14FN5 — CID 43684011

IUPACN-[1-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)aniline
SMILESCC(Nc1cccc(-n2cnnn2)c1)c1cccc(F)c1
InChIInChI=1S/C15H14FN5/c1-11(12-4-2-5-13(16)8-12)18-14-6-3-7-15(9-14)21-10-17-19-20-21/h2-11,18H,1H3
InChIKeyZDGVZVPLTWDJFZ-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.97
Rot. Bonds4

About N-[1-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)aniline

N-[1-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)aniline (PubChem CID 43684011) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)aniline
PubChem CID43684011
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)aniline
SMILESCC(Nc1cccc(-n2cnnn2)c1)c1cccc(F)c1
InChIInChI=1S/C15H14FN5/c1-11(12-4-2-5-13(16)8-12)18-14-6-3-7-15(9-14)21-10-17-19-20-21/h2-11,18H,1H3
InChIKeyZDGVZVPLTWDJFZ-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-methylphenyl)ethyl]-3-(tetrazol-1-yl)aniline
CID 43781131
N-[1-(3-chlorophenyl)ethyl]-3-(tetrazol-1-yl)aniline
CID 43683959
3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]phenol
CID 43207009
3-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)aniline
CID 43683983
5-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyridin-3-amine
CID 103932356
N-(4-methylpentan-2-yl)-3-(tetrazol-1-yl)aniline
CID 43683982
2-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]benzonitrile
CID 43823269
N-[1-(4-fluorophenyl)ethyl]-3-(1,2,4-triazol-4-yl)aniline
CID 43692006
N-(1-cyclopropylpropyl)-3-(tetrazol-1-yl)aniline
CID 64920522
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 61166998
N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210752

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)aniline?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)aniline (CID 43684011) is N-[1-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)aniline is CC(Nc1cccc(-n2cnnn2)c1)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)aniline?
The InChIKey is ZDGVZVPLTWDJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5/c1-11(12-4-2-5-13(16)8-12)18-14-6-3-7-15(9-14)21-10-17-19-20-21/h2-11,18H,1H3.
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)aniline?
N-[1-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)aniline has a molecular weight of 283.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)aniline is sourced from PubChem (CID 43684011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).