N-[[1-[1-(4-bromophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine

C14H20BrN5 — CID 62762591

IUPACN-[[1-[1-(4-bromophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(c1ccc(Br)cc1)n1nnnc1CNC(C)(C)C
InChIInChI=1S/C14H20BrN5/c1-10(11-5-7-12(15)8-6-11)20-13(17-18-19-20)9-16-14(2,3)4/h5-8,10,16H,9H2,1-4H3
InChIKeyUGTNVQOTOFHZMX-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.93
Rot. Bonds4

About N-[[1-[1-(4-bromophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[1-[1-(4-bromophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62762591) has the molecular formula C14H20BrN5 and a molecular weight of 338.25 g/mol. Its IUPAC name is N-[[1-[1-(4-bromophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[1-(4-bromophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID62762591
Molecular FormulaC14H20BrN5
Molecular Weight338.25 g/mol
Exact Mass337.09
IUPAC NameN-[[1-[1-(4-bromophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(c1ccc(Br)cc1)n1nnnc1CNC(C)(C)C
InChIInChI=1S/C14H20BrN5/c1-10(11-5-7-12(15)8-6-11)20-13(17-18-19-20)9-16-14(2,3)4/h5-8,10,16H,9H2,1-4H3
InChIKeyUGTNVQOTOFHZMX-UHFFFAOYSA-N
XLogP2.93
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.93
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-2-amine
CID 62762587
N-[[1-[1-(2-chlorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62763846
1-[1-[1-(4-methoxyphenyl)ethyl]tetrazol-5-yl]-N-methylmethanamine
CID 66242844
2-methyl-N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]propan-2-amine
CID 62761534
N-[[1-[1-(3-bromophenyl)ethyl]tetrazol-5-yl]methyl]ethanamine
CID 62763303
2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-2-amine
CID 62737630
2-methyl-N-[[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62737935
N-[[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 107603622
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62736275
5-[(4-bromophenyl)methylsulfanyl]-1-propan-2-yltetrazole
CID 52520760
N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62762234
3-[1-(1-phenylethyl)tetrazol-5-yl]propan-1-amine
CID 82228413

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(4-bromophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[1-(4-bromophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine (CID 62762591) is N-[[1-[1-(4-bromophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[1-(4-bromophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[1-(4-bromophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine is CC(c1ccc(Br)cc1)n1nnnc1CNC(C)(C)C.
What is the InChIKey of N-[[1-[1-(4-bromophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is UGTNVQOTOFHZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN5/c1-10(11-5-7-12(15)8-6-11)20-13(17-18-19-20)9-16-14(2,3)4/h5-8,10,16H,9H2,1-4H3.
What are the key properties of N-[[1-[1-(4-bromophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[1-(4-bromophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 338.25 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(4-bromophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62762591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).