(2R)-2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine

C16H16ClN5O — CID 164622107

IUPAC(2R)-2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine
SMILESC[C@H](CN)n1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C16H16ClN5O/c1-11(10-18)22-20-16(19-21-22)12-2-6-14(7-3-12)23-15-8-4-13(17)5-9-15/h2-9,11H,10,18H2,1H3/t11-/m1/s1
InChIKeySPUVZKCBPBVSNW-LLVKDONJSA-N
MW329.79 g/mol
LogP3.31
Rot. Bonds5

About (2R)-2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine

(2R)-2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine (PubChem CID 164622107) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is (2R)-2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name(2R)-2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine
PubChem CID164622107
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name(2R)-2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine
SMILESC[C@H](CN)n1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C16H16ClN5O/c1-11(10-18)22-20-16(19-21-22)12-2-6-14(7-3-12)23-15-8-4-13(17)5-9-15/h2-9,11H,10,18H2,1H3/t11-/m1/s1
InChIKeySPUVZKCBPBVSNW-LLVKDONJSA-N
XLogP3.31
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine?
The IUPAC name of (2R)-2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine (CID 164622107) is (2R)-2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine.
What is the SMILES notation for (2R)-2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine?
The canonical SMILES for (2R)-2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine is C[C@H](CN)n1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1.
What is the InChIKey of (2R)-2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine?
The InChIKey is SPUVZKCBPBVSNW-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16ClN5O/c1-11(10-18)22-20-16(19-21-22)12-2-6-14(7-3-12)23-15-8-4-13(17)5-9-15/h2-9,11H,10,18H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine?
(2R)-2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine has a molecular weight of 329.79 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine is sourced from PubChem (CID 164622107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).