N-[[2-[(2-chloro-6-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopropanamine

C19H18ClFN4 — CID 124782470

IUPACN-[[2-[(2-chloro-6-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopropanamine
SMILESFc1cccc(Cl)c1Cn1nc(CNC2CC2)c(-c2ccccc2)n1
InChIInChI=1S/C19H18ClFN4/c20-16-7-4-8-17(21)15(16)12-25-23-18(11-22-14-9-10-14)19(24-25)13-5-2-1-3-6-13/h1-8,14,22H,9-12H2
InChIKeyHHVXADOLFXTIAQ-UHFFFAOYSA-N
MW356.83 g/mol
LogP4.04
Rot. Bonds6

About N-[[2-[(2-chloro-6-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopropanamine

N-[[2-[(2-chloro-6-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopropanamine (PubChem CID 124782470) has the molecular formula C19H18ClFN4 and a molecular weight of 356.83 g/mol. Its IUPAC name is N-[[2-[(2-chloro-6-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(2-chloro-6-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopropanamine
PubChem CID124782470
Molecular FormulaC19H18ClFN4
Molecular Weight356.83 g/mol
Exact Mass356.12
IUPAC NameN-[[2-[(2-chloro-6-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopropanamine
SMILESFc1cccc(Cl)c1Cn1nc(CNC2CC2)c(-c2ccccc2)n1
InChIInChI=1S/C19H18ClFN4/c20-16-7-4-8-17(21)15(16)12-25-23-18(11-22-14-9-10-14)19(24-25)13-5-2-1-3-6-13/h1-8,14,22H,9-12H2
InChIKeyHHVXADOLFXTIAQ-UHFFFAOYSA-N
XLogP4.04
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chloro-6-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(2-chloro-6-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopropanamine (CID 124782470) is N-[[2-[(2-chloro-6-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(2-chloro-6-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(2-chloro-6-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopropanamine is Fc1cccc(Cl)c1Cn1nc(CNC2CC2)c(-c2ccccc2)n1.
What is the InChIKey of N-[[2-[(2-chloro-6-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopropanamine?
The InChIKey is HHVXADOLFXTIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4/c20-16-7-4-8-17(21)15(16)12-25-23-18(11-22-14-9-10-14)19(24-25)13-5-2-1-3-6-13/h1-8,14,22H,9-12H2.
What are the key properties of N-[[2-[(2-chloro-6-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopropanamine?
N-[[2-[(2-chloro-6-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopropanamine has a molecular weight of 356.83 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chloro-6-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 124782470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).