N-[(2-chlorophenyl)methyl]-1-[6-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]-N-methylmethanamine

C23H25Cl2N3 — CID 127045130

IUPACN-[(2-chlorophenyl)methyl]-1-[6-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]-N-methylmethanamine
SMILESCN(Cc1ccc(CN(C)Cc2ccccc2Cl)nc1)Cc1ccccc1Cl
InChIInChI=1S/C23H25Cl2N3/c1-27(15-19-7-3-5-9-22(19)24)14-18-11-12-21(26-13-18)17-28(2)16-20-8-4-6-10-23(20)25/h3-13H,14-17H2,1-2H3
InChIKeyXXVWNVHKOWXYML-UHFFFAOYSA-N
MW414.38 g/mol
LogP5.65
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-1-[6-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]-N-methylmethanamine

N-[(2-chlorophenyl)methyl]-1-[6-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]-N-methylmethanamine (PubChem CID 127045130) has the molecular formula C23H25Cl2N3 and a molecular weight of 414.38 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[6-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-[6-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]-N-methylmethanamine
PubChem CID127045130
Molecular FormulaC23H25Cl2N3
Molecular Weight414.38 g/mol
Exact Mass413.14
IUPAC NameN-[(2-chlorophenyl)methyl]-1-[6-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]-N-methylmethanamine
SMILESCN(Cc1ccc(CN(C)Cc2ccccc2Cl)nc1)Cc1ccccc1Cl
InChIInChI=1S/C23H25Cl2N3/c1-27(15-19-7-3-5-9-22(19)24)14-18-11-12-21(26-13-18)17-28(2)16-20-8-4-6-10-23(20)25/h3-13H,14-17H2,1-2H3
InChIKeyXXVWNVHKOWXYML-UHFFFAOYSA-N
XLogP5.65
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.38
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-[6-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-[6-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]-N-methylmethanamine (CID 127045130) is N-[(2-chlorophenyl)methyl]-1-[6-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-[6-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-[6-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]-N-methylmethanamine is CN(Cc1ccc(CN(C)Cc2ccccc2Cl)nc1)Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-[6-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]-N-methylmethanamine?
The InChIKey is XXVWNVHKOWXYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3/c1-27(15-19-7-3-5-9-22(19)24)14-18-11-12-21(26-13-18)17-28(2)16-20-8-4-6-10-23(20)25/h3-13H,14-17H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-[6-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]-N-methylmethanamine?
N-[(2-chlorophenyl)methyl]-1-[6-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]-N-methylmethanamine has a molecular weight of 414.38 g/mol, XLogP of 5.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-[6-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 127045130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).