N-[1-(4-bromo-3,5-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine

C15H22BrN5 — CID 107051286

IUPACN-[1-(4-bromo-3,5-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nnn(C)n1)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C15H22BrN5/c1-5-6-17-13(9-14-18-20-21(4)19-14)12-7-10(2)15(16)11(3)8-12/h7-8,13,17H,5-6,9H2,1-4H3
InChIKeyDEFZBZMUFWZHEJ-UHFFFAOYSA-N
MW352.28 g/mol
LogP2.87
Rot. Bonds6

About N-[1-(4-bromo-3,5-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine

N-[1-(4-bromo-3,5-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine (PubChem CID 107051286) has the molecular formula C15H22BrN5 and a molecular weight of 352.28 g/mol. Its IUPAC name is N-[1-(4-bromo-3,5-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromo-3,5-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
PubChem CID107051286
Molecular FormulaC15H22BrN5
Molecular Weight352.28 g/mol
Exact Mass351.11
IUPAC NameN-[1-(4-bromo-3,5-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nnn(C)n1)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C15H22BrN5/c1-5-6-17-13(9-14-18-20-21(4)19-14)12-7-10(2)15(16)11(3)8-12/h7-8,13,17H,5-6,9H2,1-4H3
InChIKeyDEFZBZMUFWZHEJ-UHFFFAOYSA-N
XLogP2.87
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,5-dibromophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107978041
N-[1-(3-bromo-5-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107049735
N-[1-(4-methoxy-3-methylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107050578
N-[1-(3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107048347
N-[1-(4-bromo-3,5-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 114330797
N-[1-(4-ethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107064889
N-[1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107065029
1-(4-bromo-3,5-dimethylphenyl)-N-propylpropan-1-amine
CID 114330802
1-(3-bromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048532
N-[1-(5-chlorofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107065126
N-[2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine
CID 107065161
N-[1-(5-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107065341

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-3,5-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-bromo-3,5-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine (CID 107051286) is N-[1-(4-bromo-3,5-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-bromo-3,5-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-bromo-3,5-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1nnn(C)n1)c1cc(C)c(Br)c(C)c1.
What is the InChIKey of N-[1-(4-bromo-3,5-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
The InChIKey is DEFZBZMUFWZHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN5/c1-5-6-17-13(9-14-18-20-21(4)19-14)12-7-10(2)15(16)11(3)8-12/h7-8,13,17H,5-6,9H2,1-4H3.
What are the key properties of N-[1-(4-bromo-3,5-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
N-[1-(4-bromo-3,5-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine has a molecular weight of 352.28 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-3,5-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107051286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).