1-[5-bromo-2-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol

C14H20BrNO2 — CID 103339600

IUPAC1-[5-bromo-2-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol
SMILESC=CCN(CCOC)c1ccc(Br)cc1C(C)O
InChIInChI=1S/C14H20BrNO2/c1-4-7-16(8-9-18-3)14-6-5-12(15)10-13(14)11(2)17/h4-6,10-11,17H,1,7-9H2,2-3H3
InChIKeyZEVBXJARQILJJY-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.14
Rot. Bonds7

About 1-[5-bromo-2-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol

1-[5-bromo-2-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol (PubChem CID 103339600) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-[5-bromo-2-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol
PubChem CID103339600
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-[5-bromo-2-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol
SMILESC=CCN(CCOC)c1ccc(Br)cc1C(C)O
InChIInChI=1S/C14H20BrNO2/c1-4-7-16(8-9-18-3)14-6-5-12(15)10-13(14)11(2)17/h4-6,10-11,17H,1,7-9H2,2-3H3
InChIKeyZEVBXJARQILJJY-UHFFFAOYSA-N
XLogP3.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[3-fluoro-4-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol
CID 103339609
1-[5-bromo-2-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol
CID 82969825
(1R)-1-[2-[bis(2-methoxyethyl)amino]-5-fluorophenyl]ethanol
CID 78940044
4-fluoro-N-(2-methoxyethyl)-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline
CID 103339223
1-[2-methoxy-6-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol
CID 103339602
1-[4-bromo-2-[3-methoxypropyl(methyl)amino]phenyl]ethanol
CID 82971014
2-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-N-(2-methoxyethyl)acetamide
CID 82970493
1-[5-bromo-2-[ethyl(prop-2-ynyl)amino]phenyl]ethanol
CID 82970518
2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-methylaniline
CID 82971357
3-[4-bromo-2-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)anilino]propanenitrile
CID 82956629
(1R)-1-[4-[bis(prop-2-enyl)amino]-3-bromophenyl]ethanol
CID 55183358
2-(1-aminoethyl)-4-bromo-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82968759

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol (CID 103339600) is 1-[5-bromo-2-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol is C=CCN(CCOC)c1ccc(Br)cc1C(C)O.
What is the InChIKey of 1-[5-bromo-2-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol?
The InChIKey is ZEVBXJARQILJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-4-7-16(8-9-18-3)14-6-5-12(15)10-13(14)11(2)17/h4-6,10-11,17H,1,7-9H2,2-3H3.
What are the key properties of 1-[5-bromo-2-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol?
1-[5-bromo-2-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol has a molecular weight of 314.22 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol is sourced from PubChem (CID 103339600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).