2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]butan-1-ol

C18H21N5O2 — CID 17206251

IUPAC2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1cccc(Oc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C18H21N5O2/c1-2-15(13-24)19-12-14-7-6-10-17(11-14)25-18-20-21-22-23(18)16-8-4-3-5-9-16/h3-11,15,19,24H,2,12-13H2,1H3
InChIKeyJKEKWYMGUMNUBP-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.32
Rot. Bonds8

About 2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]butan-1-ol

2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]butan-1-ol (PubChem CID 17206251) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]butan-1-ol
PubChem CID17206251
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1cccc(Oc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C18H21N5O2/c1-2-15(13-24)19-12-14-7-6-10-17(11-14)25-18-20-21-22-23(18)16-8-4-3-5-9-16/h3-11,15,19,24H,2,12-13H2,1H3
InChIKeyJKEKWYMGUMNUBP-UHFFFAOYSA-N
XLogP2.32
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]butan-1-ol with MolForge

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Related Compounds

1-phenyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine
CID 17206239
N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine
CID 17206261
(2R)-2-[(3-phenoxyphenyl)methylamino]butan-1-ol
CID 28723157
3-methoxy-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine
CID 17206385
N',N'-diethyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethane-1,2-diamine;dihydrochloride
CID 17216139
1-phenyl-2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride
CID 17206286
4-[[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]methyl]benzoic acid
CID 17206285
ethyl 4-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]benzoate
CID 66539015
4-fluoro-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]aniline
CID 66539007
N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]cycloheptanamine
CID 17206293
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

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]butan-1-ol?
The IUPAC name of 2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]butan-1-ol (CID 17206251) is 2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]butan-1-ol.
What is the SMILES notation for 2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]butan-1-ol?
The canonical SMILES for 2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]butan-1-ol is CCC(CO)NCc1cccc(Oc2nnnn2-c2ccccc2)c1.
What is the InChIKey of 2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]butan-1-ol?
The InChIKey is JKEKWYMGUMNUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-2-15(13-24)19-12-14-7-6-10-17(11-14)25-18-20-21-22-23(18)16-8-4-3-5-9-16/h3-11,15,19,24H,2,12-13H2,1H3.
What are the key properties of 2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]butan-1-ol?
2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]butan-1-ol has a molecular weight of 339.40 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]butan-1-ol is sourced from PubChem (CID 17206251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).