3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine

C16H16ClN5O — CID 164623381

IUPAC3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine
SMILESNCCCn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C16H16ClN5O/c17-13-4-8-15(9-5-13)23-14-6-2-12(3-7-14)16-19-21-22(20-16)11-1-10-18/h2-9H,1,10-11,18H2
InChIKeyZJBABFDZOGBDCB-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.13
Rot. Bonds6

About 3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine

3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine (PubChem CID 164623381) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is 3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine
PubChem CID164623381
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine
SMILESNCCCn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C16H16ClN5O/c17-13-4-8-15(9-5-13)23-14-6-2-12(3-7-14)16-19-21-22(20-16)11-1-10-18/h2-9H,1,10-11,18H2
InChIKeyZJBABFDZOGBDCB-UHFFFAOYSA-N
XLogP3.13
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
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

Analyze 3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[(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
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
5-[4-(3-chlorophenoxy)phenyl]-N,N-dimethyltetrazole-2-carboxamide
CID 72197804
2-[5-[4-(4-Methylphenoxy)phenyl]tetrazol-2-yl]ethanamine
CID 162416237

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine (CID 164623381) is 3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine is NCCCn1nnc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1.
What is the InChIKey of 3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine?
The InChIKey is ZJBABFDZOGBDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c17-13-4-8-15(9-5-13)23-14-6-2-12(3-7-14)16-19-21-22(20-16)11-1-10-18/h2-9H,1,10-11,18H2.
What are the key properties of 3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine?
3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine has a molecular weight of 329.79 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(4-chlorophenoxy)phenyl]tetrazol-2-yl]propan-1-amine is sourced from PubChem (CID 164623381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).