2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-2-methylpropan-1-ol

C20H25Cl2NO3 — CID 1017286

IUPAC2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-2-methylpropan-1-ol
SMILESCCOc1cccc(CNC(C)(C)CO)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H25Cl2NO3/c1-4-25-18-7-5-6-14(11-23-20(2,3)13-24)19(18)26-12-15-8-9-16(21)10-17(15)22/h5-10,23-24H,4,11-13H2,1-3H3
InChIKeyOZVWXCNOLWRLNP-UHFFFAOYSA-N
MW398.33 g/mol
LogP4.83
Rot. Bonds9

About 2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-2-methylpropan-1-ol

2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-2-methylpropan-1-ol (PubChem CID 1017286) has the molecular formula C20H25Cl2NO3 and a molecular weight of 398.33 g/mol. Its IUPAC name is 2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-2-methylpropan-1-ol
PubChem CID1017286
Molecular FormulaC20H25Cl2NO3
Molecular Weight398.33 g/mol
Exact Mass397.12
IUPAC Name2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-2-methylpropan-1-ol
SMILESCCOc1cccc(CNC(C)(C)CO)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H25Cl2NO3/c1-4-25-18-7-5-6-14(11-23-20(2,3)13-24)19(18)26-12-15-8-9-16(21)10-17(15)22/h5-10,23-24H,4,11-13H2,1-3H3
InChIKeyOZVWXCNOLWRLNP-UHFFFAOYSA-N
XLogP4.83
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2,4,4-trimethylpentan-2-amine
CID 17212690
2-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-2-methylpropan-1-ol;hydrochloride
CID 17206072
(2R)-1-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol
CID 51987173
2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol;hydrochloride
CID 17056706
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
2-[(3-ethoxy-2-methoxyphenyl)methylamino]-2-methylpropan-1-ol
CID 43771181
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-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol
CID 4715486
2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-2-methylpropan-1-ol;hydrochloride
CID 17289549

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-2-methylpropan-1-ol (CID 1017286) is 2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-2-methylpropan-1-ol is CCOc1cccc(CNC(C)(C)CO)c1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-2-methylpropan-1-ol?
The InChIKey is OZVWXCNOLWRLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2NO3/c1-4-25-18-7-5-6-14(11-23-20(2,3)13-24)19(18)26-12-15-8-9-16(21)10-17(15)22/h5-10,23-24H,4,11-13H2,1-3H3.
What are the key properties of 2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-2-methylpropan-1-ol?
2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-2-methylpropan-1-ol has a molecular weight of 398.33 g/mol, XLogP of 4.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 1017286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).