N-[[1-(2,4-dichlorophenyl)tetrazol-5-yl]methyl]cyclopropanamine

C11H11Cl2N5 — CID 62737390

IUPACN-[[1-(2,4-dichlorophenyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESClc1ccc(-n2nnnc2CNC2CC2)c(Cl)c1
InChIInChI=1S/C11H11Cl2N5/c12-7-1-4-10(9(13)5-7)18-11(15-16-17-18)6-14-8-2-3-8/h1,4-5,8,14H,2-3,6H2
InChIKeyUOPZUIHUWLUEEB-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.22
Rot. Bonds4

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

N-[[1-(2,4-dichlorophenyl)tetrazol-5-yl]methyl]cyclopropanamine (PubChem CID 62737390) has the molecular formula C11H11Cl2N5 and a molecular weight of 284.15 g/mol. Its IUPAC name is N-[[1-(2,4-dichlorophenyl)tetrazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2,4-dichlorophenyl)tetrazol-5-yl]methyl]cyclopropanamine
PubChem CID62737390
Molecular FormulaC11H11Cl2N5
Molecular Weight284.15 g/mol
Exact Mass283.04
IUPAC NameN-[[1-(2,4-dichlorophenyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESClc1ccc(-n2nnnc2CNC2CC2)c(Cl)c1
InChIInChI=1S/C11H11Cl2N5/c12-7-1-4-10(9(13)5-7)18-11(15-16-17-18)6-14-8-2-3-8/h1,4-5,8,14H,2-3,6H2
InChIKeyUOPZUIHUWLUEEB-UHFFFAOYSA-N
XLogP2.22
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-chloro-5-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 114261277
1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62737014
N-[[1-(2,4-difluorophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62737963
N-[[1-(4-fluoro-2-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 79771892
N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 104725249
N-[[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62737024
N-[[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 107617080
N-[[1-(2,4-dichlorophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 62737012
N-[[1-(2,4-dichlorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine
CID 66440263
N-[[1-[(3-chloro-4-fluorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine
CID 62735977
N-[[1-(3-bromo-4-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 114262381
N-[[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine
CID 62735968

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-dichlorophenyl)tetrazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2,4-dichlorophenyl)tetrazol-5-yl]methyl]cyclopropanamine (CID 62737390) is N-[[1-(2,4-dichlorophenyl)tetrazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2,4-dichlorophenyl)tetrazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2,4-dichlorophenyl)tetrazol-5-yl]methyl]cyclopropanamine is Clc1ccc(-n2nnnc2CNC2CC2)c(Cl)c1.
What is the InChIKey of N-[[1-(2,4-dichlorophenyl)tetrazol-5-yl]methyl]cyclopropanamine?
The InChIKey is UOPZUIHUWLUEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N5/c12-7-1-4-10(9(13)5-7)18-11(15-16-17-18)6-14-8-2-3-8/h1,4-5,8,14H,2-3,6H2.
What are the key properties of N-[[1-(2,4-dichlorophenyl)tetrazol-5-yl]methyl]cyclopropanamine?
N-[[1-(2,4-dichlorophenyl)tetrazol-5-yl]methyl]cyclopropanamine has a molecular weight of 284.15 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-dichlorophenyl)tetrazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62737390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).