N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride

C20H26Cl3NO2 — CID 17206183

IUPACN-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride
SMILESCCOc1cccc(CNCC(C)C)c1OCc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C20H25Cl2NO2.ClH/c1-4-24-19-7-5-6-15(12-23-11-14(2)3)20(19)25-13-16-8-9-17(21)10-18(16)22;/h5-10,14,23H,4,11-13H2,1-3H3;1H
InChIKeyBKALFTQTQMWNSD-UHFFFAOYSA-N
MW418.79 g/mol
LogP6.14
Rot. Bonds9

About N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride

N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride (PubChem CID 17206183) has the molecular formula C20H26Cl3NO2 and a molecular weight of 418.79 g/mol. Its IUPAC name is N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride
PubChem CID17206183
Molecular FormulaC20H26Cl3NO2
Molecular Weight418.79 g/mol
Exact Mass417.10
IUPAC NameN-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride
SMILESCCOc1cccc(CNCC(C)C)c1OCc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C20H25Cl2NO2.ClH/c1-4-24-19-7-5-6-15(12-23-11-14(2)3)20(19)25-13-16-8-9-17(21)10-18(16)22;/h5-10,14,23H,4,11-13H2,1-3H3;1H
InChIKeyBKALFTQTQMWNSD-UHFFFAOYSA-N
XLogP6.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.79
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol
CID 51987173
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 4716969
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methoxyethanamine
CID 17212686
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine
CID 17212650
N'-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-N-methylpropane-1,3-diamine;dihydrochloride
CID 17216215
1-[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 17212712
2-(2,4-dichlorophenyl)-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17209966
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2,4,4-trimethylpentan-2-amine
CID 17212690
1-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride
CID 17206090
2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-2-methylpropan-1-ol
CID 1017286
2-(2,4-dichlorophenyl)-N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine
CID 17209851
N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]propan-1-amine;hydrochloride
CID 17206157

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride?
The IUPAC name of N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride (CID 17206183) is N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride?
The canonical SMILES for N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride is CCOc1cccc(CNCC(C)C)c1OCc1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride?
The InChIKey is BKALFTQTQMWNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2NO2.ClH/c1-4-24-19-7-5-6-15(12-23-11-14(2)3)20(19)25-13-16-8-9-17(21)10-18(16)22;/h5-10,14,23H,4,11-13H2,1-3H3;1H.
What are the key properties of N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride?
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride has a molecular weight of 418.79 g/mol, XLogP of 6.14, 9 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]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 17206183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).