N-[[1-[2-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]methyl]propan-2-amine

C13H17Cl2N5 — CID 62735962

IUPACN-[[1-[2-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnnn1CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2N5/c1-9(2)16-8-13-17-18-19-20(13)6-5-10-3-4-11(14)7-12(10)15/h3-4,7,9,16H,5-6,8H2,1-2H3
InChIKeyDMXSBXSTVWHMIH-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.72
Rot. Bonds6

About N-[[1-[2-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]methyl]propan-2-amine

N-[[1-[2-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]methyl]propan-2-amine (PubChem CID 62735962) has the molecular formula C13H17Cl2N5 and a molecular weight of 314.22 g/mol. Its IUPAC name is N-[[1-[2-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]methyl]propan-2-amine
PubChem CID62735962
Molecular FormulaC13H17Cl2N5
Molecular Weight314.22 g/mol
Exact Mass313.09
IUPAC NameN-[[1-[2-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnnn1CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2N5/c1-9(2)16-8-13-17-18-19-20(13)6-5-10-3-4-11(14)7-12(10)15/h3-4,7,9,16H,5-6,8H2,1-2H3
InChIKeyDMXSBXSTVWHMIH-UHFFFAOYSA-N
XLogP2.72
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62736869
N-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 66146288
3-[5-[(2,4-dichlorophenyl)methyl]tetrazol-1-yl]propan-1-ol
CID 84759507
N-[[1-(3-chlorophenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62737561
N-[[1-[(2,4-dimethoxyphenyl)methyl]tetrazol-5-yl]methyl]propan-2-amine
CID 63362886
N-[[1-[2-(4-chlorophenyl)ethyl]tetrazol-5-yl]methyl]propan-1-amine
CID 62761167
N-[[1-(2-chloro-5-methoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62761535
1-[(2,4-dichlorophenyl)methylamino]ethanethiol
CID 143498139
N-[[4-(5-bromo-3-methyltriazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine
CID 106463333
1-[1-[2-(4-chlorophenyl)ethyl]tetrazol-5-yl]-N-ethylethanamine
CID 103085817
N-[[3-(2,4-dichlorophenyl)triazol-4-yl]methyl]propan-2-amine
CID 107451370
N-[[3-(2,5-dichlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
CID 79485539

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]methyl]propan-2-amine (CID 62735962) is N-[[1-[2-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]methyl]propan-2-amine is CC(C)NCc1nnnn1CCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[1-[2-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]methyl]propan-2-amine?
The InChIKey is DMXSBXSTVWHMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N5/c1-9(2)16-8-13-17-18-19-20(13)6-5-10-3-4-11(14)7-12(10)15/h3-4,7,9,16H,5-6,8H2,1-2H3.
What are the key properties of N-[[1-[2-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]methyl]propan-2-amine?
N-[[1-[2-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]methyl]propan-2-amine has a molecular weight of 314.22 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2,4-dichlorophenyl)ethyl]tetrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62735962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).