2-chloro-4-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]aniline

C14H18ClN5O — CID 82779058

IUPAC2-chloro-4-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]aniline
SMILESNc1ccc(-c2nnnn2CCOC2CCCC2)cc1Cl
InChIInChI=1S/C14H18ClN5O/c15-12-9-10(5-6-13(12)16)14-17-18-19-20(14)7-8-21-11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,16H2
InChIKeyNUIZEWMRKUSWIX-UHFFFAOYSA-N
MW307.79 g/mol
LogP2.53
Rot. Bonds5

About 2-chloro-4-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]aniline

2-chloro-4-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]aniline (PubChem CID 82779058) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 2-chloro-4-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-chloro-4-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]aniline
PubChem CID82779058
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name2-chloro-4-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]aniline
SMILESNc1ccc(-c2nnnn2CCOC2CCCC2)cc1Cl
InChIInChI=1S/C14H18ClN5O/c15-12-9-10(5-6-13(12)16)14-17-18-19-20(14)7-8-21-11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,16H2
InChIKeyNUIZEWMRKUSWIX-UHFFFAOYSA-N
XLogP2.53
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]aniline?
The IUPAC name of 2-chloro-4-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]aniline (CID 82779058) is 2-chloro-4-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-chloro-4-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-chloro-4-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]aniline is Nc1ccc(-c2nnnn2CCOC2CCCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]aniline?
The InChIKey is NUIZEWMRKUSWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c15-12-9-10(5-6-13(12)16)14-17-18-19-20(14)7-8-21-11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,16H2.
What are the key properties of 2-chloro-4-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]aniline?
2-chloro-4-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]aniline has a molecular weight of 307.79 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 82779058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).