N-[1-[1-(5-bromo-2-methylphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine

C14H20BrN5 — CID 103085187

IUPACN-[1-[1-(5-bromo-2-methylphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
SMILESCc1ccc(Br)cc1-n1nnnc1C(C)NCC(C)C
InChIInChI=1S/C14H20BrN5/c1-9(2)8-16-11(4)14-17-18-19-20(14)13-7-12(15)6-5-10(13)3/h5-7,9,11,16H,8H2,1-4H3
InChIKeySQAJZUFPQPTTGC-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.04
Rot. Bonds5

About N-[1-[1-(5-bromo-2-methylphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine

N-[1-[1-(5-bromo-2-methylphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine (PubChem CID 103085187) has the molecular formula C14H20BrN5 and a molecular weight of 338.25 g/mol. Its IUPAC name is N-[1-[1-(5-bromo-2-methylphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(5-bromo-2-methylphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
PubChem CID103085187
Molecular FormulaC14H20BrN5
Molecular Weight338.25 g/mol
Exact Mass337.09
IUPAC NameN-[1-[1-(5-bromo-2-methylphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
SMILESCc1ccc(Br)cc1-n1nnnc1C(C)NCC(C)C
InChIInChI=1S/C14H20BrN5/c1-9(2)8-16-11(4)14-17-18-19-20(14)13-7-12(15)6-5-10(13)3/h5-7,9,11,16H,8H2,1-4H3
InChIKeySQAJZUFPQPTTGC-UHFFFAOYSA-N
XLogP3.04
TPSA55.63 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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(2-bromophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103084884
N-[1-[1-(2-fluoro-5-methylphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103084797
N-ethyl-1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine
CID 103084942
N-[1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103084976
1-[1-(5-bromo-2-iodophenyl)tetrazol-5-yl]-N-methylethanamine
CID 114261284
2-methyl-N-[1-[1-(2,4,6-trifluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086468
N-[1-[1-(3,4-difluorophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085104
N-[1-[1-[(3-bromophenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085946
1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylethanamine
CID 103084941
N-[[1-(4-bromo-2-methylphenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62738119
N-[1-[1-(1,3-benzothiazol-6-yl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 107806577
N-[1-[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084921

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(5-bromo-2-methylphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[1-[1-(5-bromo-2-methylphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine (CID 103085187) is N-[1-[1-(5-bromo-2-methylphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-[1-(5-bromo-2-methylphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[1-[1-(5-bromo-2-methylphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine is Cc1ccc(Br)cc1-n1nnnc1C(C)NCC(C)C.
What is the InChIKey of N-[1-[1-(5-bromo-2-methylphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine?
The InChIKey is SQAJZUFPQPTTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN5/c1-9(2)8-16-11(4)14-17-18-19-20(14)13-7-12(15)6-5-10(13)3/h5-7,9,11,16H,8H2,1-4H3.
What are the key properties of N-[1-[1-(5-bromo-2-methylphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine?
N-[1-[1-(5-bromo-2-methylphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine has a molecular weight of 338.25 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(5-bromo-2-methylphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103085187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).