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

C14H18BrN5 — CID 107415099

IUPAC2-bromo-5-[1-[(3-methylcyclopentyl)methyl]tetrazol-5-yl]aniline
SMILESCC1CCC(Cn2nnnc2-c2ccc(Br)c(N)c2)C1
InChIInChI=1S/C14H18BrN5/c1-9-2-3-10(6-9)8-20-14(17-18-19-20)11-4-5-12(15)13(16)7-11/h4-5,7,9-10H,2-3,6,8,16H2,1H3
InChIKeyBNLVEPRAJCJJRK-UHFFFAOYSA-N
MW336.24 g/mol
LogP3.12
Rot. Bonds3

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

2-bromo-5-[1-[(3-methylcyclopentyl)methyl]tetrazol-5-yl]aniline (PubChem CID 107415099) has the molecular formula C14H18BrN5 and a molecular weight of 336.24 g/mol. Its IUPAC name is 2-bromo-5-[1-[(3-methylcyclopentyl)methyl]tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-bromo-5-[1-[(3-methylcyclopentyl)methyl]tetrazol-5-yl]aniline
PubChem CID107415099
Molecular FormulaC14H18BrN5
Molecular Weight336.24 g/mol
Exact Mass335.07
IUPAC Name2-bromo-5-[1-[(3-methylcyclopentyl)methyl]tetrazol-5-yl]aniline
SMILESCC1CCC(Cn2nnnc2-c2ccc(Br)c(N)c2)C1
InChIInChI=1S/C14H18BrN5/c1-9-2-3-10(6-9)8-20-14(17-18-19-20)11-4-5-12(15)13(16)7-11/h4-5,7,9-10H,2-3,6,8,16H2,1H3
InChIKeyBNLVEPRAJCJJRK-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

2-bromo-5-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]tetrazol-5-yl]aniline
CID 79359804
2-bromo-5-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline
CID 106010927
2-bromo-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]aniline
CID 61376603
5-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]benzene-1,3-diamine
CID 63243468
5-(1-benzyltetrazol-5-yl)-2-bromoaniline
CID 61354077
2-[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]aniline
CID 63243875
2-bromo-5-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline
CID 104765158
2-bromo-5-(1-hexan-3-yltetrazol-5-yl)aniline
CID 62117490
2-bromo-5-(1-pentan-2-yltetrazol-5-yl)aniline
CID 61354055
2-bromo-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]aniline
CID 62531409
4-bromo-3-[1-[(2-methylcyclopentyl)methyl]tetrazol-5-yl]aniline
CID 107420435
3-[1-(cyclopropylmethyl)tetrazol-5-yl]-4-methylaniline
CID 61352252

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[1-[(3-methylcyclopentyl)methyl]tetrazol-5-yl]aniline?
The IUPAC name of 2-bromo-5-[1-[(3-methylcyclopentyl)methyl]tetrazol-5-yl]aniline (CID 107415099) is 2-bromo-5-[1-[(3-methylcyclopentyl)methyl]tetrazol-5-yl]aniline.
What is the SMILES notation for 2-bromo-5-[1-[(3-methylcyclopentyl)methyl]tetrazol-5-yl]aniline?
The canonical SMILES for 2-bromo-5-[1-[(3-methylcyclopentyl)methyl]tetrazol-5-yl]aniline is CC1CCC(Cn2nnnc2-c2ccc(Br)c(N)c2)C1.
What is the InChIKey of 2-bromo-5-[1-[(3-methylcyclopentyl)methyl]tetrazol-5-yl]aniline?
The InChIKey is BNLVEPRAJCJJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5/c1-9-2-3-10(6-9)8-20-14(17-18-19-20)11-4-5-12(15)13(16)7-11/h4-5,7,9-10H,2-3,6,8,16H2,1H3.
What are the key properties of 2-bromo-5-[1-[(3-methylcyclopentyl)methyl]tetrazol-5-yl]aniline?
2-bromo-5-[1-[(3-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 2-bromo-5-[1-[(3-methylcyclopentyl)methyl]tetrazol-5-yl]aniline is sourced from PubChem (CID 107415099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).