N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine

C26H22Cl3NO — CID 17209602

IUPACN-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine
SMILESClc1ccc(CCNCc2c(OCc3ccccc3Cl)ccc3ccccc23)c(Cl)c1
InChIInChI=1S/C26H22Cl3NO/c27-21-11-9-19(25(29)15-21)13-14-30-16-23-22-7-3-1-5-18(22)10-12-26(23)31-17-20-6-2-4-8-24(20)28/h1-12,15,30H,13-14,16-17H2
InChIKeyGRSGZMKVVLTCAU-UHFFFAOYSA-N
MW470.83 g/mol
LogP7.71
Rot. Bonds8

About N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine

N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine (PubChem CID 17209602) has the molecular formula C26H22Cl3NO and a molecular weight of 470.83 g/mol. Its IUPAC name is N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound NameN-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine
PubChem CID17209602
Molecular FormulaC26H22Cl3NO
Molecular Weight470.83 g/mol
Exact Mass469.08
IUPAC NameN-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine
SMILESClc1ccc(CCNCc2c(OCc3ccccc3Cl)ccc3ccccc23)c(Cl)c1
InChIInChI=1S/C26H22Cl3NO/c27-21-11-9-19(25(29)15-21)13-14-30-16-23-22-7-3-1-5-18(22)10-12-26(23)31-17-20-6-2-4-8-24(20)28/h1-12,15,30H,13-14,16-17H2
InChIKeyGRSGZMKVVLTCAU-UHFFFAOYSA-N
XLogP7.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.83
LogP ≤ 57.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine;hydrochloride
CID 17209736
2-[2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17294818
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207194
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride
CID 17294819
2-[3-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]propylamino]ethanol
CID 17214071
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209562
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-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-propan-2-yloxypropan-1-amine
CID 17208850
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526326
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 4716502

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine?
The IUPAC name of N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine (CID 17209602) is N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine.
What is the SMILES notation for N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine?
The canonical SMILES for N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine is Clc1ccc(CCNCc2c(OCc3ccccc3Cl)ccc3ccccc23)c(Cl)c1.
What is the InChIKey of N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine?
The InChIKey is GRSGZMKVVLTCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl3NO/c27-21-11-9-19(25(29)15-21)13-14-30-16-23-22-7-3-1-5-18(22)10-12-26(23)31-17-20-6-2-4-8-24(20)28/h1-12,15,30H,13-14,16-17H2.
What are the key properties of N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine?
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine has a molecular weight of 470.83 g/mol, XLogP of 7.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 17209602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).