2-[2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethylamino]ethanol

C19H24Cl2N2O3 — CID 4719844

IUPAC2-[2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethylamino]ethanol
SMILESCOc1cc(CNCCNCCO)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H24Cl2N2O3/c1-25-19-11-14(12-23-7-6-22-8-9-24)3-5-18(19)26-13-15-2-4-16(20)17(21)10-15/h2-5,10-11,22-24H,6-9,12-13H2,1H3
InChIKeyJOMZXFVHOOHEKS-UHFFFAOYSA-N
MW399.32 g/mol
LogP3.25
Rot. Bonds11

About 2-[2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethylamino]ethanol

2-[2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethylamino]ethanol (PubChem CID 4719844) has the molecular formula C19H24Cl2N2O3 and a molecular weight of 399.32 g/mol. Its IUPAC name is 2-[2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethylamino]ethanol
PubChem CID4719844
Molecular FormulaC19H24Cl2N2O3
Molecular Weight399.32 g/mol
Exact Mass398.12
IUPAC Name2-[2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethylamino]ethanol
SMILESCOc1cc(CNCCNCCO)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H24Cl2N2O3/c1-25-19-11-14(12-23-7-6-22-8-9-24)3-5-18(19)26-13-15-2-4-16(20)17(21)10-15/h2-5,10-11,22-24H,6-9,12-13H2,1H3
InChIKeyJOMZXFVHOOHEKS-UHFFFAOYSA-N
XLogP3.25
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.32
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropane-1,3-diamine
CID 4722426
2-(4-chlorophenyl)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride
CID 17208614
1-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol
CID 4719391
1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 4719426
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17332699
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-ethoxypropan-1-amine
CID 4719413
2-[2-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17294318
2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 4719355
2-(2,4-dichlorophenyl)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride
CID 17209792
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4719683
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 17294256
2-[[3,4-bis[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
CID 146309825

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethylamino]ethanol?
The IUPAC name of 2-[2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethylamino]ethanol (CID 4719844) is 2-[2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethylamino]ethanol.
What is the SMILES notation for 2-[2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethylamino]ethanol?
The canonical SMILES for 2-[2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethylamino]ethanol is COc1cc(CNCCNCCO)ccc1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethylamino]ethanol?
The InChIKey is JOMZXFVHOOHEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N2O3/c1-25-19-11-14(12-23-7-6-22-8-9-24)3-5-18(19)26-13-15-2-4-16(20)17(21)10-15/h2-5,10-11,22-24H,6-9,12-13H2,1H3.
What are the key properties of 2-[2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethylamino]ethanol?
2-[2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethylamino]ethanol has a molecular weight of 399.32 g/mol, XLogP of 3.25, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethylamino]ethanol is sourced from PubChem (CID 4719844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).