N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2,4,4-trimethylpentan-2-amine

C24H33Cl2NO2 — CID 17212690

IUPACN-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2,4,4-trimethylpentan-2-amine
SMILESCCOc1cccc(CNC(C)(C)CC(C)(C)C)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H33Cl2NO2/c1-7-28-21-10-8-9-17(14-27-24(5,6)16-23(2,3)4)22(21)29-15-18-11-12-19(25)13-20(18)26/h8-13,27H,7,14-16H2,1-6H3
InChIKeyQJPQNXBHTQOMGG-UHFFFAOYSA-N
MW438.44 g/mol
LogP7.28
Rot. Bonds9

About N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2,4,4-trimethylpentan-2-amine

N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2,4,4-trimethylpentan-2-amine (PubChem CID 17212690) has the molecular formula C24H33Cl2NO2 and a molecular weight of 438.44 g/mol. Its IUPAC name is N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2,4,4-trimethylpentan-2-amine
PubChem CID17212690
Molecular FormulaC24H33Cl2NO2
Molecular Weight438.44 g/mol
Exact Mass437.19
IUPAC NameN-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2,4,4-trimethylpentan-2-amine
SMILESCCOc1cccc(CNC(C)(C)CC(C)(C)C)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H33Cl2NO2/c1-7-28-21-10-8-9-17(14-27-24(5,6)16-23(2,3)4)22(21)29-15-18-11-12-19(25)13-20(18)26/h8-13,27H,7,14-16H2,1-6H3
InChIKeyQJPQNXBHTQOMGG-UHFFFAOYSA-N
XLogP7.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.44
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2,4,4-trimethylpentan-2-amine with MolForge

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Related Compounds

2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-2-methylpropan-1-ol
CID 1017286
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
(2R)-1-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol
CID 51987173
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17332966
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17206183
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-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-2-methylpropan-1-ol;hydrochloride
CID 17206072
2-(2,4-dichlorophenyl)-N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17209966
N-[(2-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 2242368
2-(2,4-dichlorophenyl)-N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine
CID 17209851

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2,4,4-trimethylpentan-2-amine?
The IUPAC name of N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2,4,4-trimethylpentan-2-amine (CID 17212690) is N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2,4,4-trimethylpentan-2-amine.
What is the SMILES notation for N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2,4,4-trimethylpentan-2-amine?
The canonical SMILES for N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2,4,4-trimethylpentan-2-amine is CCOc1cccc(CNC(C)(C)CC(C)(C)C)c1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2,4,4-trimethylpentan-2-amine?
The InChIKey is QJPQNXBHTQOMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33Cl2NO2/c1-7-28-21-10-8-9-17(14-27-24(5,6)16-23(2,3)4)22(21)29-15-18-11-12-19(25)13-20(18)26/h8-13,27H,7,14-16H2,1-6H3.
What are the key properties of N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2,4,4-trimethylpentan-2-amine?
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2,4,4-trimethylpentan-2-amine has a molecular weight of 438.44 g/mol, XLogP of 7.28, 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]-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 17212690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).