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

C14H20BrN5 — CID 107873997

IUPAC5-bromo-2-methyl-3-[1-(4-methylpentyl)tetrazol-5-yl]aniline
SMILESCc1c(N)cc(Br)cc1-c1nnnn1CCCC(C)C
InChIInChI=1S/C14H20BrN5/c1-9(2)5-4-6-20-14(17-18-19-20)12-7-11(15)8-13(16)10(12)3/h7-9H,4-6,16H2,1-3H3
InChIKeyMWGKAKGKXLQKRF-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.43
Rot. Bonds5

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

5-bromo-2-methyl-3-[1-(4-methylpentyl)tetrazol-5-yl]aniline (PubChem CID 107873997) has the molecular formula C14H20BrN5 and a molecular weight of 338.25 g/mol. Its IUPAC name is 5-bromo-2-methyl-3-[1-(4-methylpentyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name5-bromo-2-methyl-3-[1-(4-methylpentyl)tetrazol-5-yl]aniline
PubChem CID107873997
Molecular FormulaC14H20BrN5
Molecular Weight338.25 g/mol
Exact Mass337.09
IUPAC Name5-bromo-2-methyl-3-[1-(4-methylpentyl)tetrazol-5-yl]aniline
SMILESCc1c(N)cc(Br)cc1-c1nnnn1CCCC(C)C
InChIInChI=1S/C14H20BrN5/c1-9(2)5-4-6-20-14(17-18-19-20)12-7-11(15)8-13(16)10(12)3/h7-9H,4-6,16H2,1-3H3
InChIKeyMWGKAKGKXLQKRF-UHFFFAOYSA-N
XLogP3.43
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.43
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

5-bromo-2-methyl-3-(1-pentyltetrazol-5-yl)aniline
CID 107873939
5-bromo-2-methyl-3-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]aniline
CID 107874031
5-bromo-2-methyl-3-[1-(2-methylbutyl)tetrazol-5-yl]aniline
CID 107873995
4-bromo-3-[1-(4-methylpentyl)tetrazol-5-yl]aniline
CID 63004368
5-bromo-2-methyl-3-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]aniline
CID 107873944
5-bromo-2-methyl-3-[1-[2-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline
CID 107873980
5-bromo-3-[1-(4-methoxybutan-2-yl)tetrazol-5-yl]-2-methylaniline
CID 107874013
4-methoxy-2-[1-(5-methylhexyl)tetrazol-5-yl]aniline
CID 115326829
5-bromo-2-methyl-3-[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]aniline
CID 107874014
5-bromo-3-[1-(1-methoxybutan-2-yl)tetrazol-5-yl]-2-methylaniline
CID 107874009
5-bromo-3-[1-(1-cyclobutylethyl)tetrazol-5-yl]-2-methylaniline
CID 107874058
4-chloro-2-[1-(3-methylbutyl)tetrazol-5-yl]aniline
CID 61351688

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-3-[1-(4-methylpentyl)tetrazol-5-yl]aniline?
The IUPAC name of 5-bromo-2-methyl-3-[1-(4-methylpentyl)tetrazol-5-yl]aniline (CID 107873997) is 5-bromo-2-methyl-3-[1-(4-methylpentyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 5-bromo-2-methyl-3-[1-(4-methylpentyl)tetrazol-5-yl]aniline?
The canonical SMILES for 5-bromo-2-methyl-3-[1-(4-methylpentyl)tetrazol-5-yl]aniline is Cc1c(N)cc(Br)cc1-c1nnnn1CCCC(C)C.
What is the InChIKey of 5-bromo-2-methyl-3-[1-(4-methylpentyl)tetrazol-5-yl]aniline?
The InChIKey is MWGKAKGKXLQKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN5/c1-9(2)5-4-6-20-14(17-18-19-20)12-7-11(15)8-13(16)10(12)3/h7-9H,4-6,16H2,1-3H3.
What are the key properties of 5-bromo-2-methyl-3-[1-(4-methylpentyl)tetrazol-5-yl]aniline?
5-bromo-2-methyl-3-[1-(4-methylpentyl)tetrazol-5-yl]aniline has a molecular weight of 338.25 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-3-[1-(4-methylpentyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 107873997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).