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

C24H27Cl2NO2 — CID 17208850

IUPACN-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12
InChIInChI=1S/C24H27Cl2NO2/c1-17(2)28-13-5-12-27-15-22-21-7-4-3-6-18(21)9-11-24(22)29-16-19-8-10-20(25)14-23(19)26/h3-4,6-11,14,17,27H,5,12-13,15-16H2,1-2H3
InChIKeyQAJLAYHCDDVNFW-UHFFFAOYSA-N
MW432.39 g/mol
LogP6.63
Rot. Bonds10

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

N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-propan-2-yloxypropan-1-amine (PubChem CID 17208850) has the molecular formula C24H27Cl2NO2 and a molecular weight of 432.39 g/mol. Its IUPAC name is N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-propan-2-yloxypropan-1-amine
PubChem CID17208850
Molecular FormulaC24H27Cl2NO2
Molecular Weight432.39 g/mol
Exact Mass431.14
IUPAC NameN-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12
InChIInChI=1S/C24H27Cl2NO2/c1-17(2)28-13-5-12-27-15-22-21-7-4-3-6-18(21)9-11-24(22)29-16-19-8-10-20(25)14-23(19)26/h3-4,6-11,14,17,27H,5,12-13,15-16H2,1-2H3
InChIKeyQAJLAYHCDDVNFW-UHFFFAOYSA-N
XLogP6.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.39
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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]-2-methoxyethanamine;hydrochloride
CID 17294824
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride
CID 17291175
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526326
2-[3-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]propylamino]ethanol
CID 17214071
5-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]pentan-1-ol;hydrochloride
CID 17211551
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride
CID 17294819
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-ethoxynaphthalen-1-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 17209000
(2S)-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine
CID 40726488
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 4715514
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17209098

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-propan-2-yloxypropan-1-amine (CID 17208850) is N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-propan-2-yloxypropan-1-amine is CC(C)OCCCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12.
What is the InChIKey of N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-propan-2-yloxypropan-1-amine?
The InChIKey is QAJLAYHCDDVNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2NO2/c1-17(2)28-13-5-12-27-15-22-21-7-4-3-6-18(21)9-11-24(22)29-16-19-8-10-20(25)14-23(19)26/h3-4,6-11,14,17,27H,5,12-13,15-16H2,1-2H3.
What are the key properties of N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-propan-2-yloxypropan-1-amine?
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-propan-2-yloxypropan-1-amine has a molecular weight of 432.39 g/mol, XLogP of 6.63, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 17208850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).