N-[(2,5-dichlorophenyl)methyl]-1-(4-phenyl-3-pyridinyl)cyclopropan-1-amine

C21H18Cl2N2 — CID 129241577

IUPACN-[(2,5-dichlorophenyl)methyl]-1-(4-phenyl-3-pyridinyl)cyclopropan-1-amine
SMILESClc1ccc(Cl)c(CNC2(c3cnccc3-c3ccccc3)CC2)c1
InChIInChI=1S/C21H18Cl2N2/c22-17-6-7-20(23)16(12-17)13-25-21(9-10-21)19-14-24-11-8-18(19)15-4-2-1-3-5-15/h1-8,11-12,14,25H,9-10,13H2
InChIKeyZAIJMNYWZDNPRX-UHFFFAOYSA-N
MW369.30 g/mol
LogP5.83
Rot. Bonds5

About N-[(2,5-dichlorophenyl)methyl]-1-(4-phenyl-3-pyridinyl)cyclopropan-1-amine

N-[(2,5-dichlorophenyl)methyl]-1-(4-phenyl-3-pyridinyl)cyclopropan-1-amine (PubChem CID 129241577) has the molecular formula C21H18Cl2N2 and a molecular weight of 369.30 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-1-(4-phenyl-3-pyridinyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-1-(4-phenyl-3-pyridinyl)cyclopropan-1-amine
PubChem CID129241577
Molecular FormulaC21H18Cl2N2
Molecular Weight369.30 g/mol
Exact Mass368.08
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-1-(4-phenyl-3-pyridinyl)cyclopropan-1-amine
SMILESClc1ccc(Cl)c(CNC2(c3cnccc3-c3ccccc3)CC2)c1
InChIInChI=1S/C21H18Cl2N2/c22-17-6-7-20(23)16(12-17)13-25-21(9-10-21)19-14-24-11-8-18(19)15-4-2-1-3-5-15/h1-8,11-12,14,25H,9-10,13H2
InChIKeyZAIJMNYWZDNPRX-UHFFFAOYSA-N
XLogP5.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.30
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-1-(4-phenyl-3-pyridinyl)cyclopropan-1-amine?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-1-(4-phenyl-3-pyridinyl)cyclopropan-1-amine (CID 129241577) is N-[(2,5-dichlorophenyl)methyl]-1-(4-phenyl-3-pyridinyl)cyclopropan-1-amine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-1-(4-phenyl-3-pyridinyl)cyclopropan-1-amine?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-1-(4-phenyl-3-pyridinyl)cyclopropan-1-amine is Clc1ccc(Cl)c(CNC2(c3cnccc3-c3ccccc3)CC2)c1.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-1-(4-phenyl-3-pyridinyl)cyclopropan-1-amine?
The InChIKey is ZAIJMNYWZDNPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2/c22-17-6-7-20(23)16(12-17)13-25-21(9-10-21)19-14-24-11-8-18(19)15-4-2-1-3-5-15/h1-8,11-12,14,25H,9-10,13H2.
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-1-(4-phenyl-3-pyridinyl)cyclopropan-1-amine?
N-[(2,5-dichlorophenyl)methyl]-1-(4-phenyl-3-pyridinyl)cyclopropan-1-amine has a molecular weight of 369.30 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methyl]-1-(4-phenyl-3-pyridinyl)cyclopropan-1-amine is sourced from PubChem (CID 129241577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).