5-fluoro-2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]aniline

C16H16FN5 — CID 43825661

IUPAC5-fluoro-2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]aniline
SMILESCc1ccc(F)cc1NC(C)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H16FN5/c1-11-6-7-14(17)9-16(11)19-12(2)13-4-3-5-15(8-13)22-10-18-20-21-22/h3-10,12,19H,1-2H3
InChIKeyDXMVRNZUFKZFCQ-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.28
Rot. Bonds4

About 5-fluoro-2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]aniline

5-fluoro-2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]aniline (PubChem CID 43825661) has the molecular formula C16H16FN5 and a molecular weight of 297.34 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]aniline.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]aniline
PubChem CID43825661
Molecular FormulaC16H16FN5
Molecular Weight297.34 g/mol
Exact Mass297.14
IUPAC Name5-fluoro-2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]aniline
SMILESCc1ccc(F)cc1NC(C)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H16FN5/c1-11-6-7-14(17)9-16(11)19-12(2)13-4-3-5-15(8-13)22-10-18-20-21-22/h3-10,12,19H,1-2H3
InChIKeyDXMVRNZUFKZFCQ-UHFFFAOYSA-N
XLogP3.28
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)aniline
CID 16776027
(E)-3-(2-fluorophenyl)-N-[(1S)-1-[3-(1,2,4-triazol-1-yl)phenyl]ethyl]prop-2-enamide
CID 10019891
2-methyl-3-(1H-1,2,3,4-tetrazol-1-yl)aniline
CID 2114008
n-[2-(2-Fluorophenyl)ethyl]-1-phenyl-1h-1,2,3,4-tetrazol-5-amine
CID 644714
1-phenyl-N-(2-phenylethyl)tetrazol-5-amine
CID 2499895
1-(naphthalen-1-yl)-1H-tetrazole
CID 645672
Benzyl-(1-phenyl-1H-tetrazol-5-yl)-amine
CID 1085717
1-phenyl-N-(3-phenylpropyl)tetrazol-5-amine
CID 2480572
N-(4-fluorobenzyl)-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine
CID 6485923
N-[(2-fluorophenyl)methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 6485927
1-(2-Phenylphenyl)tetrazole
CID 738194
4-(2-Methylanilino)-1-(2-methylphenyl)-1H-1,2,4-triazol-4-ium chloride
CID 200549

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]aniline?
The IUPAC name of 5-fluoro-2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]aniline (CID 43825661) is 5-fluoro-2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]aniline.
What is the SMILES notation for 5-fluoro-2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]aniline?
The canonical SMILES for 5-fluoro-2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]aniline is Cc1ccc(F)cc1NC(C)c1cccc(-n2cnnn2)c1.
What is the InChIKey of 5-fluoro-2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]aniline?
The InChIKey is DXMVRNZUFKZFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5/c1-11-6-7-14(17)9-16(11)19-12(2)13-4-3-5-15(8-13)22-10-18-20-21-22/h3-10,12,19H,1-2H3.
What are the key properties of 5-fluoro-2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]aniline?
5-fluoro-2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]aniline has a molecular weight of 297.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]aniline is sourced from PubChem (CID 43825661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).