N-[(2-chlorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-methylpropan-1-amine

C22H22Cl2N2 — CID 56672776

IUPACN-[(2-chlorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-methylpropan-1-amine
SMILESCC(C)CNC(c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Cl
InChIInChI=1S/C22H22Cl2N2/c1-16(2)14-26-22(18-6-5-13-25-15-18,17-9-11-19(23)12-10-17)20-7-3-4-8-21(20)24/h3-13,15-16,26H,14H2,1-2H3
InChIKeyUSACVKNTIJCITM-UHFFFAOYSA-N
MW385.34 g/mol
LogP5.93
Rot. Bonds6

About N-[(2-chlorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-methylpropan-1-amine

N-[(2-chlorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-methylpropan-1-amine (PubChem CID 56672776) has the molecular formula C22H22Cl2N2 and a molecular weight of 385.34 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-methylpropan-1-amine
PubChem CID56672776
Molecular FormulaC22H22Cl2N2
Molecular Weight385.34 g/mol
Exact Mass384.12
IUPAC NameN-[(2-chlorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-methylpropan-1-amine
SMILESCC(C)CNC(c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Cl
InChIInChI=1S/C22H22Cl2N2/c1-16(2)14-26-22(18-6-5-13-25-15-18,17-9-11-19(23)12-10-17)20-7-3-4-8-21(20)24/h3-13,15-16,26H,14H2,1-2H3
InChIKeyUSACVKNTIJCITM-UHFFFAOYSA-N
XLogP5.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.34
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2-chlorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-methylpropan-1-amine (CID 56672776) is N-[(2-chlorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-chlorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-chlorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-methylpropan-1-amine is CC(C)CNC(c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-methylpropan-1-amine?
The InChIKey is USACVKNTIJCITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N2/c1-16(2)14-26-22(18-6-5-13-25-15-18,17-9-11-19(23)12-10-17)20-7-3-4-8-21(20)24/h3-13,15-16,26H,14H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-methylpropan-1-amine?
N-[(2-chlorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-methylpropan-1-amine has a molecular weight of 385.34 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 56672776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).