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

C14H18BrN5 — CID 107420435

IUPAC4-bromo-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline
SMILESCC1CCCC1Cn1nnnc1-c1cc(N)ccc1Br
InChIInChI=1S/C14H18BrN5/c1-9-3-2-4-10(9)8-20-14(17-18-19-20)12-7-11(16)5-6-13(12)15/h5-7,9-10H,2-4,8,16H2,1H3
InChIKeyVZNHZIRCFMRFEJ-UHFFFAOYSA-N
MW336.24 g/mol
LogP3.12
Rot. Bonds3

About 4-bromo-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline

4-bromo-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline (PubChem CID 107420435) has the molecular formula C14H18BrN5 and a molecular weight of 336.24 g/mol. Its IUPAC name is 4-bromo-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-bromo-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline
PubChem CID107420435
Molecular FormulaC14H18BrN5
Molecular Weight336.24 g/mol
Exact Mass335.07
IUPAC Name4-bromo-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline
SMILESCC1CCCC1Cn1nnnc1-c1cc(N)ccc1Br
InChIInChI=1S/C14H18BrN5/c1-9-3-2-4-10(9)8-20-14(17-18-19-20)12-7-11(16)5-6-13(12)15/h5-7,9-10H,2-4,8,16H2,1H3
InChIKeyVZNHZIRCFMRFEJ-UHFFFAOYSA-N
XLogP3.12
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline
CID 107420425
4-bromo-3-[1-[(1-methylcyclopentyl)methyl]tetrazol-5-yl]aniline
CID 63829617
3-[1-(cyclopropylmethyl)tetrazol-5-yl]-4-methylaniline
CID 61352252
3-chloro-2-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline
CID 107420403
4-bromo-3-[1-(2,3-dimethylcyclopentyl)tetrazol-5-yl]aniline
CID 64923451
4-bromo-3-[1-(4-methylpentyl)tetrazol-5-yl]aniline
CID 63004368
4-[1-(2-bicyclo[2.2.1]heptanylmethyl)tetrazol-5-yl]-3-methylaniline
CID 63686295
2-bromo-5-[1-[(3-methylcyclopentyl)methyl]tetrazol-5-yl]aniline
CID 107415099
4-fluoro-3-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]aniline
CID 61351652
4-methoxy-3-[1-(2-methylcyclopentyl)tetrazol-5-yl]aniline
CID 63281557
4-bromo-3-[1-[1-(trifluoromethyl)cyclopropyl]tetrazol-5-yl]aniline
CID 106216528
3-methyl-4-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]tetrazol-5-yl]aniline
CID 79361312

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline?
The IUPAC name of 4-bromo-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline (CID 107420435) is 4-bromo-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline.
What is the SMILES notation for 4-bromo-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline?
The canonical SMILES for 4-bromo-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline is CC1CCCC1Cn1nnnc1-c1cc(N)ccc1Br.
What is the InChIKey of 4-bromo-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline?
The InChIKey is VZNHZIRCFMRFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5/c1-9-3-2-4-10(9)8-20-14(17-18-19-20)12-7-11(16)5-6-13(12)15/h5-7,9-10H,2-4,8,16H2,1H3.
What are the key properties of 4-bromo-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline?
4-bromo-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline has a molecular weight of 336.24 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline is sourced from PubChem (CID 107420435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).