[4-chloro-2-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine

C14H12ClN5O — CID 114323919

IUPAC[4-chloro-2-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine
SMILESNCc1ccc(Cl)cc1Oc1nnnn1-c1ccccc1
InChIInChI=1S/C14H12ClN5O/c15-11-7-6-10(9-16)13(8-11)21-14-17-18-19-20(14)12-4-2-1-3-5-12/h1-8H,9,16H2
InChIKeyPFEJTAKHYJHGRC-UHFFFAOYSA-N
MW301.74 g/mol
LogP2.57
Rot. Bonds4

About [4-chloro-2-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine

[4-chloro-2-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine (PubChem CID 114323919) has the molecular formula C14H12ClN5O and a molecular weight of 301.74 g/mol. Its IUPAC name is [4-chloro-2-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[4-chloro-2-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine
PubChem CID114323919
Molecular FormulaC14H12ClN5O
Molecular Weight301.74 g/mol
Exact Mass301.07
IUPAC Name[4-chloro-2-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine
SMILESNCc1ccc(Cl)cc1Oc1nnnn1-c1ccccc1
InChIInChI=1S/C14H12ClN5O/c15-11-7-6-10(9-16)13(8-11)21-14-17-18-19-20(14)12-4-2-1-3-5-12/h1-8H,9,16H2
InChIKeyPFEJTAKHYJHGRC-UHFFFAOYSA-N
XLogP2.57
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-chloro-2-(1-phenyltetrazol-5-yl)sulfanylphenyl]methanamine
CID 63081126
2-(1-phenyltetrazol-5-yl)oxyaniline
CID 1079791
4-(2-aminoethyl)-7-(1-phenyltetrazol-5-yl)oxy-1,3-dihydroindol-2-one
CID 23322067
5-(5-bromo-2-methylphenoxy)-1-phenyltetrazole
CID 107284493
N-[(2-chlorophenyl)methyl]-1-[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine
CID 17206227
N-[(2-chlorophenyl)methyl]-1-[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine;hydrochloride
CID 17206226
2-(1-phenyltetrazol-5-yl)ethanamine
CID 64981210
1-phenyl-5-(4-phenylphenoxy)tetrazole
CID 2477634
[4-chloro-2-(pyridin-2-ylmethoxy)phenyl]methanamine
CID 113277219
5-(2-azidophenoxy)-1-phenyltetrazole
CID 169324997
1-phenyl-5-phenylmethoxytetrazole
CID 5082830
N-[(2-chlorophenyl)methyl]-1-[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine
CID 17206323

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine?
The IUPAC name of [4-chloro-2-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine (CID 114323919) is [4-chloro-2-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine.
What is the SMILES notation for [4-chloro-2-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine?
The canonical SMILES for [4-chloro-2-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine is NCc1ccc(Cl)cc1Oc1nnnn1-c1ccccc1.
What is the InChIKey of [4-chloro-2-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine?
The InChIKey is PFEJTAKHYJHGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O/c15-11-7-6-10(9-16)13(8-11)21-14-17-18-19-20(14)12-4-2-1-3-5-12/h1-8H,9,16H2.
What are the key properties of [4-chloro-2-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine?
[4-chloro-2-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine has a molecular weight of 301.74 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine is sourced from PubChem (CID 114323919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).