3-(3,4-dichlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine

C11H13Cl2N5 — CID 44511399

IUPAC3-(3,4-dichlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine
SMILESCNCCC(c1ccc(Cl)c(Cl)c1)n1ncnn1
InChIInChI=1S/C11H13Cl2N5/c1-14-5-4-11(18-16-7-15-17-18)8-2-3-9(12)10(13)6-8/h2-3,6-7,11,14H,4-5H2,1H3
InChIKeyXENSJUHNMOKFGM-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.18
Rot. Bonds5

About 3-(3,4-dichlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine

3-(3,4-dichlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine (PubChem CID 44511399) has the molecular formula C11H13Cl2N5 and a molecular weight of 286.17 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine
PubChem CID44511399
Molecular FormulaC11H13Cl2N5
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name3-(3,4-dichlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine
SMILESCNCCC(c1ccc(Cl)c(Cl)c1)n1ncnn1
InChIInChI=1S/C11H13Cl2N5/c1-14-5-4-11(18-16-7-15-17-18)8-2-3-9(12)10(13)6-8/h2-3,6-7,11,14H,4-5H2,1H3
InChIKeyXENSJUHNMOKFGM-UHFFFAOYSA-N
XLogP2.18
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine (CID 44511399) is 3-(3,4-dichlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine is CNCCC(c1ccc(Cl)c(Cl)c1)n1ncnn1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine?
The InChIKey is XENSJUHNMOKFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N5/c1-14-5-4-11(18-16-7-15-17-18)8-2-3-9(12)10(13)6-8/h2-3,6-7,11,14H,4-5H2,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine?
3-(3,4-dichlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine has a molecular weight of 286.17 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine is sourced from PubChem (CID 44511399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).