N-[[1-[(3-chloro-4-fluorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine

C12H13ClFN5 — CID 62735977

IUPACN-[[1-[(3-chloro-4-fluorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine
SMILESFc1ccc(Cn2nnnc2CNC2CC2)cc1Cl
InChIInChI=1S/C12H13ClFN5/c13-10-5-8(1-4-11(10)14)7-19-12(16-17-18-19)6-15-9-2-3-9/h1,4-5,9,15H,2-3,6-7H2
InChIKeyVILRQDXTEXOSMQ-UHFFFAOYSA-N
MW281.72 g/mol
LogP1.77
Rot. Bonds5

About N-[[1-[(3-chloro-4-fluorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine

N-[[1-[(3-chloro-4-fluorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine (PubChem CID 62735977) has the molecular formula C12H13ClFN5 and a molecular weight of 281.72 g/mol. Its IUPAC name is N-[[1-[(3-chloro-4-fluorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(3-chloro-4-fluorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine
PubChem CID62735977
Molecular FormulaC12H13ClFN5
Molecular Weight281.72 g/mol
Exact Mass281.08
IUPAC NameN-[[1-[(3-chloro-4-fluorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine
SMILESFc1ccc(Cn2nnnc2CNC2CC2)cc1Cl
InChIInChI=1S/C12H13ClFN5/c13-10-5-8(1-4-11(10)14)7-19-12(16-17-18-19)6-15-9-2-3-9/h1,4-5,9,15H,2-3,6-7H2
InChIKeyVILRQDXTEXOSMQ-UHFFFAOYSA-N
XLogP1.77
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine
CID 62735968
N-[[1-[(3-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 103041561
N-[[1-[(4-methylsulfonylphenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine
CID 62763500
1-[(3-chloro-4-fluorophenyl)methyl]tetrazol-5-amine
CID 79505932
N-[[1-[(3-chloro-4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 103041569
N-[[1-(2,4-dichlorophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62737390
4-tert-butyl-N-[(3-chloro-4-fluorophenyl)methyl]cyclohexan-1-amine
CID 63476637
N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclopropanamine
CID 80503769
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
CID 81144619
N-[[1-(2,2-dimethylpropyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62761510
4-[(3-chloro-4-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 81155541
2-[(3-chloro-4-fluorophenyl)methyl]-5-(cyclopropylamino)pyridazin-3-one
CID 103219913

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-chloro-4-fluorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(3-chloro-4-fluorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine (CID 62735977) is N-[[1-[(3-chloro-4-fluorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(3-chloro-4-fluorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(3-chloro-4-fluorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine is Fc1ccc(Cn2nnnc2CNC2CC2)cc1Cl.
What is the InChIKey of N-[[1-[(3-chloro-4-fluorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine?
The InChIKey is VILRQDXTEXOSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN5/c13-10-5-8(1-4-11(10)14)7-19-12(16-17-18-19)6-15-9-2-3-9/h1,4-5,9,15H,2-3,6-7H2.
What are the key properties of N-[[1-[(3-chloro-4-fluorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine?
N-[[1-[(3-chloro-4-fluorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine has a molecular weight of 281.72 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-chloro-4-fluorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62735977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).