N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-pyridin-2-yloxypropan-1-amine

C26H24Cl2N2O2 — CID 66526326

IUPACN-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-pyridin-2-yloxypropan-1-amine
SMILESClc1ccc(COc2ccc3ccccc3c2CNCCCOc2ccccn2)c(Cl)c1
InChIInChI=1S/C26H24Cl2N2O2/c27-21-11-9-20(24(28)16-21)18-32-25-12-10-19-6-1-2-7-22(19)23(25)17-29-13-5-15-31-26-8-3-4-14-30-26/h1-4,6-12,14,16,29H,5,13,15,17-18H2
InChIKeyPOLZVEYNBKXCSR-UHFFFAOYSA-N
MW467.40 g/mol
LogP6.68
Rot. Bonds10

About N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-pyridin-2-yloxypropan-1-amine

N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-pyridin-2-yloxypropan-1-amine (PubChem CID 66526326) has the molecular formula C26H24Cl2N2O2 and a molecular weight of 467.40 g/mol. Its IUPAC name is N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-pyridin-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-pyridin-2-yloxypropan-1-amine
PubChem CID66526326
Molecular FormulaC26H24Cl2N2O2
Molecular Weight467.40 g/mol
Exact Mass466.12
IUPAC NameN-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-pyridin-2-yloxypropan-1-amine
SMILESClc1ccc(COc2ccc3ccccc3c2CNCCCOc2ccccn2)c(Cl)c1
InChIInChI=1S/C26H24Cl2N2O2/c27-21-11-9-20(24(28)16-21)18-32-25-12-10-19-6-1-2-7-22(19)23(25)17-29-13-5-15-31-26-8-3-4-14-30-26/h1-4,6-12,14,16,29H,5,13,15,17-18H2
InChIKeyPOLZVEYNBKXCSR-UHFFFAOYSA-N
XLogP6.68
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.40
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-propan-2-yloxypropan-1-amine
CID 17208850
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526135
2-[3-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]propylamino]ethanol
CID 17214071
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-methoxyethanamine;hydrochloride
CID 17294824
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride
CID 17291175
5-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]pentan-1-ol;hydrochloride
CID 17211551
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209602
2-[2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17294818
N-[(2-propoxynaphthalen-1-yl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526225
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride
CID 17294819
N-[[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526751
(2S)-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine
CID 40726488

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-pyridin-2-yloxypropan-1-amine?
The IUPAC name of N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-pyridin-2-yloxypropan-1-amine (CID 66526326) is N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-pyridin-2-yloxypropan-1-amine.
What is the SMILES notation for N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-pyridin-2-yloxypropan-1-amine?
The canonical SMILES for N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-pyridin-2-yloxypropan-1-amine is Clc1ccc(COc2ccc3ccccc3c2CNCCCOc2ccccn2)c(Cl)c1.
What is the InChIKey of N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-pyridin-2-yloxypropan-1-amine?
The InChIKey is POLZVEYNBKXCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N2O2/c27-21-11-9-20(24(28)16-21)18-32-25-12-10-19-6-1-2-7-22(19)23(25)17-29-13-5-15-31-26-8-3-4-14-30-26/h1-4,6-12,14,16,29H,5,13,15,17-18H2.
What are the key properties of N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-pyridin-2-yloxypropan-1-amine?
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-pyridin-2-yloxypropan-1-amine has a molecular weight of 467.40 g/mol, XLogP of 6.68, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-pyridin-2-yloxypropan-1-amine is sourced from PubChem (CID 66526326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).