(5-bromo-2-methoxyphenyl)-(methylamino)methanol

C9H12BrNO2 — CID 116954641

IUPAC(5-bromo-2-methoxyphenyl)-(methylamino)methanol
SMILESCNC(O)c1cc(Br)ccc1OC
InChIInChI=1S/C9H12BrNO2/c1-11-9(12)7-5-6(10)3-4-8(7)13-2/h3-5,9,11-12H,1-2H3
InChIKeyGOTZXRFZRYAXEO-UHFFFAOYSA-N
MW246.10 g/mol
LogP1.67
Rot. Bonds3

About (5-bromo-2-methoxyphenyl)-(methylamino)methanol

(5-bromo-2-methoxyphenyl)-(methylamino)methanol (PubChem CID 116954641) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)-(methylamino)methanol.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)-(methylamino)methanol
PubChem CID116954641
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name(5-bromo-2-methoxyphenyl)-(methylamino)methanol
SMILESCNC(O)c1cc(Br)ccc1OC
InChIInChI=1S/C9H12BrNO2/c1-11-9(12)7-5-6(10)3-4-8(7)13-2/h3-5,9,11-12H,1-2H3
InChIKeyGOTZXRFZRYAXEO-UHFFFAOYSA-N
XLogP1.67
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-1-chloro-N-methylmethanamine
CID 116962060
(2-methoxy-5-propan-2-ylphenyl)-(methylamino)methanol
CID 116954637
1-(5-bromo-2-methoxyphenyl)-N,N',N'-trimethylmethanediamine
CID 116909226
1-(5-bromo-2-methoxyphenyl)-2,2-dichloroethanol
CID 164892127
N-[1-(5-bromo-2-methoxyphenyl)ethyl]hydroxylamine
CID 130061479
1-(5-bromo-2-methoxyphenyl)-2-chloropropan-1-ol
CID 116863652
1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
CID 43480017
4-(5-bromo-2-methoxyphenyl)-4-(methylamino)butan-2-one
CID 116956001
1-(5-bromo-2-methoxyphenyl)-2,2,2-trifluoroethanol
CID 61101686
2-(5-bromo-2-methoxyphenyl)-N-methylpropan-1-amine
CID 82089445
1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol
CID 61101002
3-(5-bromo-2-methoxyphenyl)-3-hydroxy-2-methylpropanenitrile
CID 79129107

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenyl)-(methylamino)methanol?
The IUPAC name of (5-bromo-2-methoxyphenyl)-(methylamino)methanol (CID 116954641) is (5-bromo-2-methoxyphenyl)-(methylamino)methanol.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)-(methylamino)methanol?
The canonical SMILES for (5-bromo-2-methoxyphenyl)-(methylamino)methanol is CNC(O)c1cc(Br)ccc1OC.
What is the InChIKey of (5-bromo-2-methoxyphenyl)-(methylamino)methanol?
The InChIKey is GOTZXRFZRYAXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2/c1-11-9(12)7-5-6(10)3-4-8(7)13-2/h3-5,9,11-12H,1-2H3.
What are the key properties of (5-bromo-2-methoxyphenyl)-(methylamino)methanol?
(5-bromo-2-methoxyphenyl)-(methylamino)methanol has a molecular weight of 246.10 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxyphenyl)-(methylamino)methanol is sourced from PubChem (CID 116954641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).