2-[2-bromo-6-[(propan-2-ylamino)methyl]phenoxy]ethanol

C12H18BrNO2 — CID 61390427

IUPAC2-[2-bromo-6-[(propan-2-ylamino)methyl]phenoxy]ethanol
SMILESCC(C)NCc1cccc(Br)c1OCCO
InChIInChI=1S/C12H18BrNO2/c1-9(2)14-8-10-4-3-5-11(13)12(10)16-7-6-15/h3-5,9,14-15H,6-8H2,1-2H3
InChIKeyPSWAVMPPXMJPDI-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.32
Rot. Bonds6

About 2-[2-bromo-6-[(propan-2-ylamino)methyl]phenoxy]ethanol

2-[2-bromo-6-[(propan-2-ylamino)methyl]phenoxy]ethanol (PubChem CID 61390427) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-[2-bromo-6-[(propan-2-ylamino)methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-bromo-6-[(propan-2-ylamino)methyl]phenoxy]ethanol
PubChem CID61390427
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name2-[2-bromo-6-[(propan-2-ylamino)methyl]phenoxy]ethanol
SMILESCC(C)NCc1cccc(Br)c1OCCO
InChIInChI=1S/C12H18BrNO2/c1-9(2)14-8-10-4-3-5-11(13)12(10)16-7-6-15/h3-5,9,14-15H,6-8H2,1-2H3
InChIKeyPSWAVMPPXMJPDI-UHFFFAOYSA-N
XLogP2.32
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-bromo-6-[(propan-2-ylamino)methyl]phenoxy]hexan-1-ol
CID 107702494
N-[[3-bromo-2-(3-fluoropropoxy)phenyl]methyl]propan-2-amine
CID 81105855
methyl 4-[2-bromo-6-[(propan-2-ylamino)methyl]phenoxy]butanoate
CID 61390517
N-[[3-bromo-2-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 61483984
N-[(3-bromo-2-hept-6-enoxyphenyl)methyl]propan-2-amine
CID 107006128
N-[[3-bromo-2-(ethoxymethoxy)phenyl]methyl]propan-2-amine
CID 65369454
2-[2-bromo-6-[(propan-2-ylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 61390455
N-[[3-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63500837
2-[2-[2-bromo-6-(methylaminomethyl)phenoxy]ethoxy]ethanol
CID 61390167
N-[[3-bromo-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 65158931
N-[[3-bromo-2-(3-imidazol-1-ylpropoxy)phenyl]methyl]propan-2-amine
CID 61494565
2-[3-bromo-4-[(propan-2-ylamino)methyl]phenoxy]ethanol
CID 115575836

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-[(propan-2-ylamino)methyl]phenoxy]ethanol?
The IUPAC name of 2-[2-bromo-6-[(propan-2-ylamino)methyl]phenoxy]ethanol (CID 61390427) is 2-[2-bromo-6-[(propan-2-ylamino)methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-bromo-6-[(propan-2-ylamino)methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-bromo-6-[(propan-2-ylamino)methyl]phenoxy]ethanol is CC(C)NCc1cccc(Br)c1OCCO.
What is the InChIKey of 2-[2-bromo-6-[(propan-2-ylamino)methyl]phenoxy]ethanol?
The InChIKey is PSWAVMPPXMJPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-9(2)14-8-10-4-3-5-11(13)12(10)16-7-6-15/h3-5,9,14-15H,6-8H2,1-2H3.
What are the key properties of 2-[2-bromo-6-[(propan-2-ylamino)methyl]phenoxy]ethanol?
2-[2-bromo-6-[(propan-2-ylamino)methyl]phenoxy]ethanol has a molecular weight of 288.19 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-[(propan-2-ylamino)methyl]phenoxy]ethanol is sourced from PubChem (CID 61390427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).