1-(2-bromo-5-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine

C11H13BrFN5 — CID 146103858

IUPAC1-(2-bromo-5-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
SMILESCC(NCc1nnn(C)n1)c1cc(F)ccc1Br
InChIInChI=1S/C11H13BrFN5/c1-7(9-5-8(13)3-4-10(9)12)14-6-11-15-17-18(2)16-11/h3-5,7,14H,6H2,1-2H3
InChIKeyUVQJPADXCXYYPL-UHFFFAOYSA-N
MW314.16 g/mol
LogP1.96
Rot. Bonds4

About 1-(2-bromo-5-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine

1-(2-bromo-5-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine (PubChem CID 146103858) has the molecular formula C11H13BrFN5 and a molecular weight of 314.16 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
PubChem CID146103858
Molecular FormulaC11H13BrFN5
Molecular Weight314.16 g/mol
Exact Mass313.03
IUPAC Name1-(2-bromo-5-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
SMILESCC(NCc1nnn(C)n1)c1cc(F)ccc1Br
InChIInChI=1S/C11H13BrFN5/c1-7(9-5-8(13)3-4-10(9)12)14-6-11-15-17-18(2)16-11/h3-5,7,14H,6H2,1-2H3
InChIKeyUVQJPADXCXYYPL-UHFFFAOYSA-N
XLogP1.96
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.16
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(2-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042579
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-difluorophenyl)ethanamine
CID 61016312
N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 107042155
1-(2,5-difluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine
CID 107042414
(1R)-N-[(2-methyltetrazol-5-yl)methyl]-1-pyridin-2-ylethanamine
CID 107042590
(1R)-1-(4-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042566
(1S)-N-[(2-methyltetrazol-5-yl)methyl]-1-pyridin-2-ylethanamine
CID 107042589
N-ethyl-1-(4-fluoro-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050491
1-(2-bromo-4-fluorophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 103777561
[1-(2,5-dibromophenyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066786
3,5-difluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 107042078
[1-(2-chloro-4-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066044

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine (CID 146103858) is 1-(2-bromo-5-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine is CC(NCc1nnn(C)n1)c1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine?
The InChIKey is UVQJPADXCXYYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN5/c1-7(9-5-8(13)3-4-10(9)12)14-6-11-15-17-18(2)16-11/h3-5,7,14H,6H2,1-2H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine?
1-(2-bromo-5-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine has a molecular weight of 314.16 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 146103858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).