N-[[1-[1-(3-bromophenyl)ethyl]tetrazol-5-yl]methyl]ethanamine

C12H16BrN5 — CID 62763303

IUPACN-[[1-[1-(3-bromophenyl)ethyl]tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1C(C)c1cccc(Br)c1
InChIInChI=1S/C12H16BrN5/c1-3-14-8-12-15-16-17-18(12)9(2)10-5-4-6-11(13)7-10/h4-7,9,14H,3,8H2,1-2H3
InChIKeyJILISXDMSJMABA-UHFFFAOYSA-N
MW310.20 g/mol
LogP2.15
Rot. Bonds5

About N-[[1-[1-(3-bromophenyl)ethyl]tetrazol-5-yl]methyl]ethanamine

N-[[1-[1-(3-bromophenyl)ethyl]tetrazol-5-yl]methyl]ethanamine (PubChem CID 62763303) has the molecular formula C12H16BrN5 and a molecular weight of 310.20 g/mol. Its IUPAC name is N-[[1-[1-(3-bromophenyl)ethyl]tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[1-(3-bromophenyl)ethyl]tetrazol-5-yl]methyl]ethanamine
PubChem CID62763303
Molecular FormulaC12H16BrN5
Molecular Weight310.20 g/mol
Exact Mass309.06
IUPAC NameN-[[1-[1-(3-bromophenyl)ethyl]tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1C(C)c1cccc(Br)c1
InChIInChI=1S/C12H16BrN5/c1-3-14-8-12-15-16-17-18(12)9(2)10-5-4-6-11(13)7-10/h4-7,9,14H,3,8H2,1-2H3
InChIKeyJILISXDMSJMABA-UHFFFAOYSA-N
XLogP2.15
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62762234
N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62762587
N-[[1-[(3-bromophenyl)methyl]tetrazol-5-yl]methyl]propan-1-amine
CID 62762781
N-[[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]methyl]ethanamine
CID 64644246
N-[1-(3-bromophenyl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 112726128
4-[1-(3-bromophenyl)ethyl]-3-propyl-1H-1,2,4-triazole-5-thione
CID 54967693
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
1-[1-[1-(4-methoxyphenyl)ethyl]tetrazol-5-yl]-N-methylmethanamine
CID 66242844
2-(3-bromophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 62108729
N-[[1-(4-bromo-2-methylphenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62738119
1-(3-bromophenyl)-N-ethyl-2-methylpropan-1-amine
CID 60819212
N-[[1-[(3-methylphenyl)methyl]tetrazol-5-yl]methyl]ethanamine
CID 62737831

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(3-bromophenyl)ethyl]tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[1-(3-bromophenyl)ethyl]tetrazol-5-yl]methyl]ethanamine (CID 62763303) is N-[[1-[1-(3-bromophenyl)ethyl]tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[1-(3-bromophenyl)ethyl]tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[1-(3-bromophenyl)ethyl]tetrazol-5-yl]methyl]ethanamine is CCNCc1nnnn1C(C)c1cccc(Br)c1.
What is the InChIKey of N-[[1-[1-(3-bromophenyl)ethyl]tetrazol-5-yl]methyl]ethanamine?
The InChIKey is JILISXDMSJMABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5/c1-3-14-8-12-15-16-17-18(12)9(2)10-5-4-6-11(13)7-10/h4-7,9,14H,3,8H2,1-2H3.
What are the key properties of N-[[1-[1-(3-bromophenyl)ethyl]tetrazol-5-yl]methyl]ethanamine?
N-[[1-[1-(3-bromophenyl)ethyl]tetrazol-5-yl]methyl]ethanamine has a molecular weight of 310.20 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(3-bromophenyl)ethyl]tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62763303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).