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

C16H16ClN5O — CID 164612985

IUPAC(2R)-1-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-2-amine
SMILESC[C@@H](N)Cn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C16H16ClN5O/c1-11(18)10-22-20-16(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
InChIKeyCCQRQYPKTGXISV-LLVKDONJSA-N
MW329.79 g/mol
LogP3.13
Rot. Bonds5

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

(2R)-1-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-2-amine (PubChem CID 164612985) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is (2R)-1-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-2-amine
PubChem CID164612985
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name(2R)-1-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-2-amine
SMILESC[C@@H](N)Cn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C16H16ClN5O/c1-11(18)10-22-20-16(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
InChIKeyCCQRQYPKTGXISV-LLVKDONJSA-N
XLogP3.13
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 ≤ 53.13
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
5-{4-[(2-fluorobenzyl)oxy]phenyl}-2-isopropyl-2H-tetrazole
CID 2223801
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
N-(tert-butyl)-2-(5-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-2H-tetrazol-2-yl)acetamide
CID 1259827
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 (2R)-1-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-2-amine?
The IUPAC name of (2R)-1-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-2-amine (CID 164612985) is (2R)-1-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-2-amine.
What is the SMILES notation for (2R)-1-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-2-amine?
The canonical SMILES for (2R)-1-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-2-amine is C[C@@H](N)Cn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1.
What is the InChIKey of (2R)-1-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-2-amine?
The InChIKey is CCQRQYPKTGXISV-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16ClN5O/c1-11(18)10-22-20-16(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)-1-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-2-amine?
(2R)-1-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-2-amine has a molecular weight of 329.79 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-2-amine is sourced from PubChem (CID 164612985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).