4-[2-[(2,4-dichlorophenyl)methylamino]ethyl]phenol

C15H15Cl2NO — CID 61237272

IUPAC4-[2-[(2,4-dichlorophenyl)methylamino]ethyl]phenol
SMILESOc1ccc(CCNCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H15Cl2NO/c16-13-4-3-12(15(17)9-13)10-18-8-7-11-1-5-14(19)6-2-11/h1-6,9,18-19H,7-8,10H2
InChIKeyHOSWNXBMCKAOBG-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.03
Rot. Bonds5

About 4-[2-[(2,4-dichlorophenyl)methylamino]ethyl]phenol

4-[2-[(2,4-dichlorophenyl)methylamino]ethyl]phenol (PubChem CID 61237272) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 4-[2-[(2,4-dichlorophenyl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(2,4-dichlorophenyl)methylamino]ethyl]phenol
PubChem CID61237272
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name4-[2-[(2,4-dichlorophenyl)methylamino]ethyl]phenol
SMILESOc1ccc(CCNCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H15Cl2NO/c16-13-4-3-12(15(17)9-13)10-18-8-7-11-1-5-14(19)6-2-11/h1-6,9,18-19H,7-8,10H2
InChIKeyHOSWNXBMCKAOBG-UHFFFAOYSA-N
XLogP4.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
N-[(2,4-dichlorophenyl)methyl]-3-phenylpropan-1-amine
CID 30053289
N-[(2,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 103602762
N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)acetamide
CID 9217667
N-[(4-bromophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209550
N-[2-[(2,4-dichlorophenyl)methylcarbamothioylamino]ethyl]-2-(4-hydroxyphenyl)acetamide
CID 2725843
N-[2-(2,4-dichlorophenyl)ethyl]-2-pyridin-4-ylethanamine
CID 60649518
4-[[(2-chloro-4-methylphenyl)methylamino]methyl]phenol
CID 106863298
4-[[2-(2,4-dichlorophenyl)ethylamino]methyl]benzoic acid;hydrochloride
CID 17209952
N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(4-fluorophenyl)ethanamine
CID 66529536
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-(4-methoxyphenyl)ethanamine;hydrochloride
CID 17292530
2-(2,4-dichlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine
CID 115523434

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,4-dichlorophenyl)methylamino]ethyl]phenol?
The IUPAC name of 4-[2-[(2,4-dichlorophenyl)methylamino]ethyl]phenol (CID 61237272) is 4-[2-[(2,4-dichlorophenyl)methylamino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(2,4-dichlorophenyl)methylamino]ethyl]phenol?
The canonical SMILES for 4-[2-[(2,4-dichlorophenyl)methylamino]ethyl]phenol is Oc1ccc(CCNCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[2-[(2,4-dichlorophenyl)methylamino]ethyl]phenol?
The InChIKey is HOSWNXBMCKAOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c16-13-4-3-12(15(17)9-13)10-18-8-7-11-1-5-14(19)6-2-11/h1-6,9,18-19H,7-8,10H2.
What are the key properties of 4-[2-[(2,4-dichlorophenyl)methylamino]ethyl]phenol?
4-[2-[(2,4-dichlorophenyl)methylamino]ethyl]phenol has a molecular weight of 296.20 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2,4-dichlorophenyl)methylamino]ethyl]phenol is sourced from PubChem (CID 61237272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).