N-[1-(3-bromophenyl)ethyl]-1-phenyltetrazol-5-amine

C15H14BrN5 — CID 60746209

IUPACN-[1-(3-bromophenyl)ethyl]-1-phenyltetrazol-5-amine
SMILESCC(Nc1nnnn1-c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C15H14BrN5/c1-11(12-6-5-7-13(16)10-12)17-15-18-19-20-21(15)14-8-3-2-4-9-14/h2-11H,1H3,(H,17,18,20)
InChIKeyTUOQSCZZGNFHCR-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.60
Rot. Bonds4

About N-[1-(3-bromophenyl)ethyl]-1-phenyltetrazol-5-amine

N-[1-(3-bromophenyl)ethyl]-1-phenyltetrazol-5-amine (PubChem CID 60746209) has the molecular formula C15H14BrN5 and a molecular weight of 344.22 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-1-phenyltetrazol-5-amine
PubChem CID60746209
Molecular FormulaC15H14BrN5
Molecular Weight344.22 g/mol
Exact Mass343.04
IUPAC NameN-[1-(3-bromophenyl)ethyl]-1-phenyltetrazol-5-amine
SMILESCC(Nc1nnnn1-c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C15H14BrN5/c1-11(12-6-5-7-13(16)10-12)17-15-18-19-20-21(15)14-8-3-2-4-9-14/h2-11H,1H3,(H,17,18,20)
InChIKeyTUOQSCZZGNFHCR-UHFFFAOYSA-N
XLogP3.60
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]tetrazol-5-amine
CID 9030099
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine
CID 9195049
N-[1-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine
CID 60703954
(1R,3R)-1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]butan-1-ol
CID 97325529
1-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]tetrazol-5-amine
CID 106282877
N-[1-(3-bromophenyl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 112726128
N-[1-(3-bromophenyl)ethyl]pyridin-2-amine
CID 60969828
2-[(1-phenyltetrazol-5-yl)amino]butan-1-ol
CID 43388771
N-[1-(3-bromophenyl)ethyl]-3-pyrazol-1-ylaniline
CID 43740009
3-bromo-N-[(1S)-1-phenylethyl]aniline;hydrochloride
CID 172882994
1-(2,3-dichlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]tetrazol-5-amine
CID 68583696
N-[1-(3-bromophenyl)ethyl]-2-chloroaniline
CID 43104592

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-1-phenyltetrazol-5-amine (CID 60746209) is N-[1-(3-bromophenyl)ethyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-1-phenyltetrazol-5-amine is CC(Nc1nnnn1-c1ccccc1)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-1-phenyltetrazol-5-amine?
The InChIKey is TUOQSCZZGNFHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5/c1-11(12-6-5-7-13(16)10-12)17-15-18-19-20-21(15)14-8-3-2-4-9-14/h2-11H,1H3,(H,17,18,20).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-1-phenyltetrazol-5-amine?
N-[1-(3-bromophenyl)ethyl]-1-phenyltetrazol-5-amine has a molecular weight of 344.22 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 60746209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).