3-chloro-2-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline

C14H18ClN5 — CID 107420403

IUPAC3-chloro-2-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline
SMILESCC1CCCC1Cn1nnnc1-c1c(N)cccc1Cl
InChIInChI=1S/C14H18ClN5/c1-9-4-2-5-10(9)8-20-14(17-18-19-20)13-11(15)6-3-7-12(13)16/h3,6-7,9-10H,2,4-5,8,16H2,1H3
InChIKeyPXWLJSOVNBHHDA-UHFFFAOYSA-N
MW291.79 g/mol
LogP3.01
Rot. Bonds3

About 3-chloro-2-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline

3-chloro-2-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline (PubChem CID 107420403) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is 3-chloro-2-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline.

Molecular Properties

Compound Name3-chloro-2-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline
PubChem CID107420403
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC Name3-chloro-2-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline
SMILESCC1CCCC1Cn1nnnc1-c1c(N)cccc1Cl
InChIInChI=1S/C14H18ClN5/c1-9-4-2-5-10(9)8-20-14(17-18-19-20)13-11(15)6-3-7-12(13)16/h3,6-7,9-10H,2,4-5,8,16H2,1H3
InChIKeyPXWLJSOVNBHHDA-UHFFFAOYSA-N
XLogP3.01
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline?
The IUPAC name of 3-chloro-2-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline (CID 107420403) is 3-chloro-2-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline.
What is the SMILES notation for 3-chloro-2-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline?
The canonical SMILES for 3-chloro-2-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline is CC1CCCC1Cn1nnnc1-c1c(N)cccc1Cl.
What is the InChIKey of 3-chloro-2-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline?
The InChIKey is PXWLJSOVNBHHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c1-9-4-2-5-10(9)8-20-14(17-18-19-20)13-11(15)6-3-7-12(13)16/h3,6-7,9-10H,2,4-5,8,16H2,1H3.
What are the key properties of 3-chloro-2-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline?
3-chloro-2-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline has a molecular weight of 291.79 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline is sourced from PubChem (CID 107420403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).