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

C23H25Cl2N3 — CID 127045282

IUPAC1-(3-chlorophenyl)-N-[[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine
SMILESCN(Cc1ccc(CN(C)Cc2cccc(Cl)c2)nc1)Cc1cccc(Cl)c1
InChIInChI=1S/C23H25Cl2N3/c1-27(14-18-5-3-7-21(24)11-18)16-20-9-10-23(26-13-20)17-28(2)15-19-6-4-8-22(25)12-19/h3-13H,14-17H2,1-2H3
InChIKeyQNVOIBMUIYEMBW-UHFFFAOYSA-N
MW414.38 g/mol
LogP5.65
Rot. Bonds8

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

1-(3-chlorophenyl)-N-[[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine (PubChem CID 127045282) has the molecular formula C23H25Cl2N3 and a molecular weight of 414.38 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine
PubChem CID127045282
Molecular FormulaC23H25Cl2N3
Molecular Weight414.38 g/mol
Exact Mass413.14
IUPAC Name1-(3-chlorophenyl)-N-[[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine
SMILESCN(Cc1ccc(CN(C)Cc2cccc(Cl)c2)nc1)Cc1cccc(Cl)c1
InChIInChI=1S/C23H25Cl2N3/c1-27(14-18-5-3-7-21(24)11-18)16-20-9-10-23(26-13-20)17-28(2)15-19-6-4-8-22(25)12-19/h3-13H,14-17H2,1-2H3
InChIKeyQNVOIBMUIYEMBW-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

Analyze 1-(3-chlorophenyl)-N-[[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine with MolForge

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Related Compounds

N-[(6-chloro-3-pyridinyl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 28802343
1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]-N-methylmethanamine
CID 115622448
1-[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-pyridinyl]-N-methylmethanamine
CID 106906091
1-(3-chlorophenyl)-N-[(2,6-dichloro-3-pyridinyl)methyl]-N-methylmethanamine
CID 106993559
1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 62431544
6-chloro-N-[(3-chlorophenyl)methyl]-N-methylhexan-1-amine
CID 55192519
[4-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785290
1-(3-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanamine
CID 22196363
2-[(3-chlorophenyl)methyl-methylamino]acetonitrile
CID 60699809
5-[[(4-chlorophenyl)methyl-methylamino]methyl]pyridin-2-amine
CID 55046282
6-[[(3-chlorophenyl)methyl-methylamino]methyl]pyridine-2-carbohydrazide
CID 106909145
(2R)-1-[(3-chlorophenyl)methyl-methylamino]butan-2-ol
CID 111487359

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine (CID 127045282) is 1-(3-chlorophenyl)-N-[[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine is CN(Cc1ccc(CN(C)Cc2cccc(Cl)c2)nc1)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine?
The InChIKey is QNVOIBMUIYEMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3/c1-27(14-18-5-3-7-21(24)11-18)16-20-9-10-23(26-13-20)17-28(2)15-19-6-4-8-22(25)12-19/h3-13H,14-17H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-[[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine?
1-(3-chlorophenyl)-N-[[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-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 1-(3-chlorophenyl)-N-[[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine is sourced from PubChem (CID 127045282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).