[4-[5-bromo-2-[(propan-2-ylamino)methyl]phenoxy]phenyl]methanol

C17H20BrNO2 — CID 61229341

IUPAC[4-[5-bromo-2-[(propan-2-ylamino)methyl]phenoxy]phenyl]methanol
SMILESCC(C)NCc1ccc(Br)cc1Oc1ccc(CO)cc1
InChIInChI=1S/C17H20BrNO2/c1-12(2)19-10-14-5-6-15(18)9-17(14)21-16-7-3-13(11-20)4-8-16/h3-9,12,19-20H,10-11H2,1-2H3
InChIKeySGWUXTPBWMOZCP-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.23
Rot. Bonds6

About [4-[5-bromo-2-[(propan-2-ylamino)methyl]phenoxy]phenyl]methanol

[4-[5-bromo-2-[(propan-2-ylamino)methyl]phenoxy]phenyl]methanol (PubChem CID 61229341) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is [4-[5-bromo-2-[(propan-2-ylamino)methyl]phenoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[5-bromo-2-[(propan-2-ylamino)methyl]phenoxy]phenyl]methanol
PubChem CID61229341
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name[4-[5-bromo-2-[(propan-2-ylamino)methyl]phenoxy]phenyl]methanol
SMILESCC(C)NCc1ccc(Br)cc1Oc1ccc(CO)cc1
InChIInChI=1S/C17H20BrNO2/c1-12(2)19-10-14-5-6-15(18)9-17(14)21-16-7-3-13(11-20)4-8-16/h3-9,12,19-20H,10-11H2,1-2H3
InChIKeySGWUXTPBWMOZCP-UHFFFAOYSA-N
XLogP4.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(4-bromo-2-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43283633
N-[[4-bromo-2-(4-bromophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552178
[4-(2,4-dibromophenoxy)phenyl]methanol
CID 64720453
N-[[4-bromo-2-(2-methoxyphenoxy)phenyl]methyl]propan-2-amine
CID 43283291
[4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol
CID 114856813
[4-(4-bromophenoxy)phenyl]methanol
CID 28946070
[4-bromo-2-(4-propoxyphenoxy)phenyl]methanol
CID 43174104
5-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarbothioamide
CID 114892255
[4-bromo-2-(4-ethylphenoxy)phenyl]methanamine
CID 43364972
N-[[4-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114855683
[4-(2,5-dibromo-4-methoxyphenoxy)phenyl]methanol
CID 79403220
1-[4-(2,4-dibromophenoxy)phenyl]-N-methylmethanamine
CID 64720895

Frequently Asked Questions

What is the IUPAC name of [4-[5-bromo-2-[(propan-2-ylamino)methyl]phenoxy]phenyl]methanol?
The IUPAC name of [4-[5-bromo-2-[(propan-2-ylamino)methyl]phenoxy]phenyl]methanol (CID 61229341) is [4-[5-bromo-2-[(propan-2-ylamino)methyl]phenoxy]phenyl]methanol.
What is the SMILES notation for [4-[5-bromo-2-[(propan-2-ylamino)methyl]phenoxy]phenyl]methanol?
The canonical SMILES for [4-[5-bromo-2-[(propan-2-ylamino)methyl]phenoxy]phenyl]methanol is CC(C)NCc1ccc(Br)cc1Oc1ccc(CO)cc1.
What is the InChIKey of [4-[5-bromo-2-[(propan-2-ylamino)methyl]phenoxy]phenyl]methanol?
The InChIKey is SGWUXTPBWMOZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-12(2)19-10-14-5-6-15(18)9-17(14)21-16-7-3-13(11-20)4-8-16/h3-9,12,19-20H,10-11H2,1-2H3.
What are the key properties of [4-[5-bromo-2-[(propan-2-ylamino)methyl]phenoxy]phenyl]methanol?
[4-[5-bromo-2-[(propan-2-ylamino)methyl]phenoxy]phenyl]methanol has a molecular weight of 350.26 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-bromo-2-[(propan-2-ylamino)methyl]phenoxy]phenyl]methanol is sourced from PubChem (CID 61229341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).