2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethanamine

C15H14ClN5O — CID 164627122

IUPAC2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethanamine
SMILESNCCn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C15H14ClN5O/c16-12-3-7-14(8-4-12)22-13-5-1-11(2-6-13)15-18-20-21(19-15)10-9-17/h1-8H,9-10,17H2
InChIKeyIUBUAUMVMHQORA-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.74
Rot. Bonds5

About 2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethanamine

2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethanamine (PubChem CID 164627122) has the molecular formula C15H14ClN5O and a molecular weight of 315.76 g/mol. Its IUPAC name is 2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethanamine
PubChem CID164627122
Molecular FormulaC15H14ClN5O
Molecular Weight315.76 g/mol
Exact Mass315.09
IUPAC Name2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethanamine
SMILESNCCn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C15H14ClN5O/c16-12-3-7-14(8-4-12)22-13-5-1-11(2-6-13)15-18-20-21(19-15)10-9-17/h1-8H,9-10,17H2
InChIKeyIUBUAUMVMHQORA-UHFFFAOYSA-N
XLogP2.74
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3~{R})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid
CID 118191832
2-[5-(4-Methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine
CID 83535370
2-[5-[4-[(2-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]acetic Acid
CID 7357333
3-{5-[4-(3-Chloro-benzyloxy)-phenyl]-tetrazol-2-yl}-propionitrile
CID 10569117
(3S)-3-amino-4-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]butanoic acid
CID 91810405
Lta4H-IN-3
CID 135209030
2-Benzyl-5-(4-methoxy-phenyl)-2H-tetrazole
CID 6491488
3-{5-[4-(2-Chloro-benzyloxy)-phenyl]-tetrazol-2-yl}-propionitrile
CID 10521072
3-{5-[4-(4-Chloro-benzyloxy)-phenyl]-tetrazol-2-yl}-propionitrile
CID 10617083
2-{5-[4-(3-Chloro-benzyloxy)-phenyl]-tetrazol-2-yl}-ethanol
CID 10640204
2-{5-[4-(4-Chloro-benzyloxy)-phenyl]-tetrazol-2-yl}-ethanol
CID 10711535
5-[4-(4-chlorophenoxy)phenyl]-N,N-dimethyltetrazole-2-carboxamide
CID 72197800

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethanamine?
The IUPAC name of 2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethanamine (CID 164627122) is 2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethanamine is NCCn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1.
What is the InChIKey of 2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethanamine?
The InChIKey is IUBUAUMVMHQORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O/c16-12-3-7-14(8-4-12)22-13-5-1-11(2-6-13)15-18-20-21(19-15)10-9-17/h1-8H,9-10,17H2.
What are the key properties of 2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethanamine?
2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethanamine has a molecular weight of 315.76 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]ethanamine is sourced from PubChem (CID 164627122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).