4-fluoro-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]aniline

C20H16FN5O — CID 66539007

IUPAC4-fluoro-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]aniline
SMILESFc1ccc(NCc2cccc(Oc3nnnn3-c3ccccc3)c2)cc1
InChIInChI=1S/C20H16FN5O/c21-16-9-11-17(12-10-16)22-14-15-5-4-8-19(13-15)27-20-23-24-25-26(20)18-6-2-1-3-7-18/h1-13,22H,14H2
InChIKeyODXVPIIOKYCXOR-UHFFFAOYSA-N
MW361.38 g/mol
LogP4.21
Rot. Bonds6

About 4-fluoro-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]aniline

4-fluoro-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]aniline (PubChem CID 66539007) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 4-fluoro-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]aniline
PubChem CID66539007
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name4-fluoro-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]aniline
SMILESFc1ccc(NCc2cccc(Oc3nnnn3-c3ccccc3)c2)cc1
InChIInChI=1S/C20H16FN5O/c21-16-9-11-17(12-10-16)22-14-15-5-4-8-19(13-15)27-20-23-24-25-26(20)18-6-2-1-3-7-18/h1-13,22H,14H2
InChIKeyODXVPIIOKYCXOR-UHFFFAOYSA-N
XLogP4.21
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]benzoate
CID 66539015
N'-(4-nitrophenyl)-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethane-1,2-diamine
CID 17212362
N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine
CID 17206261
N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]cycloheptanamine
CID 17206293
1-phenyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine
CID 17206239
N-[(2-methoxyphenyl)methyl]-1-[3-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine;hydrochloride
CID 17206380
1-butyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]tetrazol-5-amine
CID 66538914
3-methoxy-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine
CID 17206385
4-[[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]methyl]benzoic acid
CID 17206285
1-phenyl-2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride
CID 17206286
1-[3-(1-phenyltetrazol-5-yl)oxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17206254
2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]butan-1-ol
CID 17206251

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]aniline?
The IUPAC name of 4-fluoro-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]aniline (CID 66539007) is 4-fluoro-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]aniline.
What is the SMILES notation for 4-fluoro-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]aniline?
The canonical SMILES for 4-fluoro-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]aniline is Fc1ccc(NCc2cccc(Oc3nnnn3-c3ccccc3)c2)cc1.
What is the InChIKey of 4-fluoro-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]aniline?
The InChIKey is ODXVPIIOKYCXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c21-16-9-11-17(12-10-16)22-14-15-5-4-8-19(13-15)27-20-23-24-25-26(20)18-6-2-1-3-7-18/h1-13,22H,14H2.
What are the key properties of 4-fluoro-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]aniline?
4-fluoro-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]aniline has a molecular weight of 361.38 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]aniline is sourced from PubChem (CID 66539007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).