N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine

C12H13BrClN5 — CID 104725249

IUPACN-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESCc1cc(Br)c(-n2nnnc2CNC2CC2)cc1Cl
InChIInChI=1S/C12H13BrClN5/c1-7-4-9(13)11(5-10(7)14)19-12(16-17-18-19)6-15-8-2-3-8/h4-5,8,15H,2-3,6H2,1H3
InChIKeyHWCBVXTYELWXDQ-UHFFFAOYSA-N
MW342.63 g/mol
LogP2.64
Rot. Bonds4

About N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine

N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine (PubChem CID 104725249) has the molecular formula C12H13BrClN5 and a molecular weight of 342.63 g/mol. Its IUPAC name is N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine
PubChem CID104725249
Molecular FormulaC12H13BrClN5
Molecular Weight342.63 g/mol
Exact Mass341.00
IUPAC NameN-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESCc1cc(Br)c(-n2nnnc2CNC2CC2)cc1Cl
InChIInChI=1S/C12H13BrClN5/c1-7-4-9(13)11(5-10(7)14)19-12(16-17-18-19)6-15-8-2-3-8/h4-5,8,15H,2-3,6H2,1H3
InChIKeyHWCBVXTYELWXDQ-UHFFFAOYSA-N
XLogP2.64
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.63
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine
CID 113445682
N-[[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 107617080
N-[[1-(2,4-dichlorophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62737390
N-[[1-(2-chloro-5-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 114261277
N-[[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62737024
N-[[1-(2-bromo-5-chloro-4-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 104725455
N-[[1-(3-bromo-4-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 114262381
N-[[1-(2,4-difluorophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62737963
N-[[1-(4-fluoro-2-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 79771892
4-bromo-5-(5-ethyltetrazol-1-yl)-2-methylaniline
CID 104815350
N-[[1-(4-ethylphenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 55109524
4-methyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 60672744

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine (CID 104725249) is N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine is Cc1cc(Br)c(-n2nnnc2CNC2CC2)cc1Cl.
What is the InChIKey of N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine?
The InChIKey is HWCBVXTYELWXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN5/c1-7-4-9(13)11(5-10(7)14)19-12(16-17-18-19)6-15-8-2-3-8/h4-5,8,15H,2-3,6H2,1H3.
What are the key properties of N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine?
N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine has a molecular weight of 342.63 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 104725249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).