N-[[1-[2-(4-chlorophenyl)-4-pyridinyl]cyclopropyl]methyl]-1-(2-fluorophenyl)methanamine

C22H20ClFN2 — CID 129316228

IUPACN-[[1-[2-(4-chlorophenyl)-4-pyridinyl]cyclopropyl]methyl]-1-(2-fluorophenyl)methanamine
SMILESFc1ccccc1CNCC1(c2ccnc(-c3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C22H20ClFN2/c23-19-7-5-16(6-8-19)21-13-18(9-12-26-21)22(10-11-22)15-25-14-17-3-1-2-4-20(17)24/h1-9,12-13,25H,10-11,14-15H2
InChIKeyZERPKXFQLVRANS-UHFFFAOYSA-N
MW366.87 g/mol
LogP5.36
Rot. Bonds6

About N-[[1-[2-(4-chlorophenyl)-4-pyridinyl]cyclopropyl]methyl]-1-(2-fluorophenyl)methanamine

N-[[1-[2-(4-chlorophenyl)-4-pyridinyl]cyclopropyl]methyl]-1-(2-fluorophenyl)methanamine (PubChem CID 129316228) has the molecular formula C22H20ClFN2 and a molecular weight of 366.87 g/mol. Its IUPAC name is N-[[1-[2-(4-chlorophenyl)-4-pyridinyl]cyclopropyl]methyl]-1-(2-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[[1-[2-(4-chlorophenyl)-4-pyridinyl]cyclopropyl]methyl]-1-(2-fluorophenyl)methanamine
PubChem CID129316228
Molecular FormulaC22H20ClFN2
Molecular Weight366.87 g/mol
Exact Mass366.13
IUPAC NameN-[[1-[2-(4-chlorophenyl)-4-pyridinyl]cyclopropyl]methyl]-1-(2-fluorophenyl)methanamine
SMILESFc1ccccc1CNCC1(c2ccnc(-c3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C22H20ClFN2/c23-19-7-5-16(6-8-19)21-13-18(9-12-26-21)22(10-11-22)15-25-14-17-3-1-2-4-20(17)24/h1-9,12-13,25H,10-11,14-15H2
InChIKeyZERPKXFQLVRANS-UHFFFAOYSA-N
XLogP5.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.87
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-chlorophenyl)-4-pyridinyl]cyclopropyl]methyl]-1-(2-fluorophenyl)methanamine?
The IUPAC name of N-[[1-[2-(4-chlorophenyl)-4-pyridinyl]cyclopropyl]methyl]-1-(2-fluorophenyl)methanamine (CID 129316228) is N-[[1-[2-(4-chlorophenyl)-4-pyridinyl]cyclopropyl]methyl]-1-(2-fluorophenyl)methanamine.
What is the SMILES notation for N-[[1-[2-(4-chlorophenyl)-4-pyridinyl]cyclopropyl]methyl]-1-(2-fluorophenyl)methanamine?
The canonical SMILES for N-[[1-[2-(4-chlorophenyl)-4-pyridinyl]cyclopropyl]methyl]-1-(2-fluorophenyl)methanamine is Fc1ccccc1CNCC1(c2ccnc(-c3ccc(Cl)cc3)c2)CC1.
What is the InChIKey of N-[[1-[2-(4-chlorophenyl)-4-pyridinyl]cyclopropyl]methyl]-1-(2-fluorophenyl)methanamine?
The InChIKey is ZERPKXFQLVRANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2/c23-19-7-5-16(6-8-19)21-13-18(9-12-26-21)22(10-11-22)15-25-14-17-3-1-2-4-20(17)24/h1-9,12-13,25H,10-11,14-15H2.
What are the key properties of N-[[1-[2-(4-chlorophenyl)-4-pyridinyl]cyclopropyl]methyl]-1-(2-fluorophenyl)methanamine?
N-[[1-[2-(4-chlorophenyl)-4-pyridinyl]cyclopropyl]methyl]-1-(2-fluorophenyl)methanamine has a molecular weight of 366.87 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-chlorophenyl)-4-pyridinyl]cyclopropyl]methyl]-1-(2-fluorophenyl)methanamine is sourced from PubChem (CID 129316228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).