1-(3,4-dichlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine

C13H17Cl2N5 — CID 107048894

IUPAC1-(3,4-dichlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCCNC(Cc1ccc(Cl)c(Cl)c1)Cc1nnn(C)n1
InChIInChI=1S/C13H17Cl2N5/c1-3-16-10(8-13-17-19-20(2)18-13)6-9-4-5-11(14)12(15)7-9/h4-5,7,10,16H,3,6,8H2,1-2H3
InChIKeyRXVABOVROPFSMR-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.28
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine

1-(3,4-dichlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine (PubChem CID 107048894) has the molecular formula C13H17Cl2N5 and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine
PubChem CID107048894
Molecular FormulaC13H17Cl2N5
Molecular Weight314.22 g/mol
Exact Mass313.09
IUPAC Name1-(3,4-dichlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCCNC(Cc1ccc(Cl)c(Cl)c1)Cc1nnn(C)n1
InChIInChI=1S/C13H17Cl2N5/c1-3-16-10(8-13-17-19-20(2)18-13)6-9-4-5-11(14)12(15)7-9/h4-5,7,10,16H,3,6,8H2,1-2H3
InChIKeyRXVABOVROPFSMR-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine (CID 107048894) is 1-(3,4-dichlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine is CCNC(Cc1ccc(Cl)c(Cl)c1)Cc1nnn(C)n1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The InChIKey is RXVABOVROPFSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N5/c1-3-16-10(8-13-17-19-20(2)18-13)6-9-4-5-11(14)12(15)7-9/h4-5,7,10,16H,3,6,8H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
1-(3,4-dichlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine has a molecular weight of 314.22 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine is sourced from PubChem (CID 107048894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).