4-bromo-2-[1-[2-ethoxyethyl(ethyl)amino]ethyl]phenol

C14H22BrNO2 — CID 82981118

IUPAC4-bromo-2-[1-[2-ethoxyethyl(ethyl)amino]ethyl]phenol
SMILESCCOCCN(CC)C(C)c1cc(Br)ccc1O
InChIInChI=1S/C14H22BrNO2/c1-4-16(8-9-18-5-2)11(3)13-10-12(15)6-7-14(13)17/h6-7,10-11,17H,4-5,8-9H2,1-3H3
InChIKeyCCZGUJPIOICERA-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.57
Rot. Bonds7

About 4-bromo-2-[1-[2-ethoxyethyl(ethyl)amino]ethyl]phenol

4-bromo-2-[1-[2-ethoxyethyl(ethyl)amino]ethyl]phenol (PubChem CID 82981118) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 4-bromo-2-[1-[2-ethoxyethyl(ethyl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[1-[2-ethoxyethyl(ethyl)amino]ethyl]phenol
PubChem CID82981118
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC Name4-bromo-2-[1-[2-ethoxyethyl(ethyl)amino]ethyl]phenol
SMILESCCOCCN(CC)C(C)c1cc(Br)ccc1O
InChIInChI=1S/C14H22BrNO2/c1-4-16(8-9-18-5-2)11(3)13-10-12(15)6-7-14(13)17/h6-7,10-11,17H,4-5,8-9H2,1-3H3
InChIKeyCCZGUJPIOICERA-UHFFFAOYSA-N
XLogP3.57
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[1-[2-ethoxyethyl(ethyl)amino]ethyl]phenol
CID 82980754
4-bromo-2-[1-[3-methoxypropyl(methyl)amino]ethyl]phenol
CID 82979584
2-[1-[ethyl(2-methoxyethyl)amino]ethyl]phenol
CID 82979119
4-bromo-N-(2-ethoxyethyl)-N-ethyl-2-hydroxybenzamide
CID 63692169
2-[1-(5-bromo-2-hydroxyphenyl)propyl-(2-methoxyethyl)amino]acetic acid
CID 65067800
1-(3-bromophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
CID 63697349
2-[(1R)-1-amino-2-methylbutyl]-4-bromophenol;hydrochloride
CID 171198644
4-bromo-2-[1-[cyclopentyl(methyl)amino]ethyl]phenol
CID 82974436
4-bromo-2-[1-(2-methoxy-N-methylanilino)ethyl]phenol
CID 82978208
4-bromo-2-[1-(N-methylanilino)ethyl]phenol
CID 82974570
ethyl 2-(5-bromo-2-hydroxyphenyl)-2-hydroxyacetate
CID 117439456
4-bromo-2-[1-[cyclohexyl(methyl)amino]ethyl]phenol
CID 82974466

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[1-[2-ethoxyethyl(ethyl)amino]ethyl]phenol?
The IUPAC name of 4-bromo-2-[1-[2-ethoxyethyl(ethyl)amino]ethyl]phenol (CID 82981118) is 4-bromo-2-[1-[2-ethoxyethyl(ethyl)amino]ethyl]phenol.
What is the SMILES notation for 4-bromo-2-[1-[2-ethoxyethyl(ethyl)amino]ethyl]phenol?
The canonical SMILES for 4-bromo-2-[1-[2-ethoxyethyl(ethyl)amino]ethyl]phenol is CCOCCN(CC)C(C)c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[1-[2-ethoxyethyl(ethyl)amino]ethyl]phenol?
The InChIKey is CCZGUJPIOICERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-4-16(8-9-18-5-2)11(3)13-10-12(15)6-7-14(13)17/h6-7,10-11,17H,4-5,8-9H2,1-3H3.
What are the key properties of 4-bromo-2-[1-[2-ethoxyethyl(ethyl)amino]ethyl]phenol?
4-bromo-2-[1-[2-ethoxyethyl(ethyl)amino]ethyl]phenol has a molecular weight of 316.24 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[1-[2-ethoxyethyl(ethyl)amino]ethyl]phenol is sourced from PubChem (CID 82981118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).