[5-bromo-2-[2-(methylamino)propyl]phenyl]methanol

C11H16BrNO — CID 84805928

IUPAC[5-bromo-2-[2-(methylamino)propyl]phenyl]methanol
SMILESCNC(C)Cc1ccc(Br)cc1CO
InChIInChI=1S/C11H16BrNO/c1-8(13-2)5-9-3-4-11(12)6-10(9)7-14/h3-4,6,8,13-14H,5,7H2,1-2H3
InChIKeyHNVBJHCJZPSLIL-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.09
Rot. Bonds4

About [5-bromo-2-[2-(methylamino)propyl]phenyl]methanol

[5-bromo-2-[2-(methylamino)propyl]phenyl]methanol (PubChem CID 84805928) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is [5-bromo-2-[2-(methylamino)propyl]phenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-[2-(methylamino)propyl]phenyl]methanol
PubChem CID84805928
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name[5-bromo-2-[2-(methylamino)propyl]phenyl]methanol
SMILESCNC(C)Cc1ccc(Br)cc1CO
InChIInChI=1S/C11H16BrNO/c1-8(13-2)5-9-3-4-11(12)6-10(9)7-14/h3-4,6,8,13-14H,5,7H2,1-2H3
InChIKeyHNVBJHCJZPSLIL-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[5-bromo-2-[1-(methylamino)ethyl]phenyl]methanol
CID 84802533
4-[2-(methylamino)propyl]benzene-1,3-diol
CID 84732352
1-[5-(4-bromo-2-ethylphenyl)furan-2-yl]-N-methylpropan-2-amine
CID 81287175
2-[(2,4-dibromophenyl)methylamino]propan-1-ol
CID 107938737
(1S,2S)-1-amino-1-[5-bromo-2-(hydroxymethyl)phenyl]propan-2-ol
CID 130632072
1-(2,5-dibromophenyl)propan-2-amine
CID 84739331
1-[2-(2,2-difluoroethyl)phenyl]-N-methylpropan-2-amine
CID 84723521
[4-bromo-2-[1-cyclopropylethyl(methyl)amino]phenyl]methanol
CID 43569351
[4-bromo-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol
CID 79483470
1-(6-bromo-1,1-dioxo-1-benzothiophen-3-yl)-N-methylpropan-2-amine
CID 117196246
1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine
CID 114906489
2-[5-bromo-2-(2-methyl-3-oxopropyl)phenyl]acetic acid
CID 91884165

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[2-(methylamino)propyl]phenyl]methanol?
The IUPAC name of [5-bromo-2-[2-(methylamino)propyl]phenyl]methanol (CID 84805928) is [5-bromo-2-[2-(methylamino)propyl]phenyl]methanol.
What is the SMILES notation for [5-bromo-2-[2-(methylamino)propyl]phenyl]methanol?
The canonical SMILES for [5-bromo-2-[2-(methylamino)propyl]phenyl]methanol is CNC(C)Cc1ccc(Br)cc1CO.
What is the InChIKey of [5-bromo-2-[2-(methylamino)propyl]phenyl]methanol?
The InChIKey is HNVBJHCJZPSLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-8(13-2)5-9-3-4-11(12)6-10(9)7-14/h3-4,6,8,13-14H,5,7H2,1-2H3.
What are the key properties of [5-bromo-2-[2-(methylamino)propyl]phenyl]methanol?
[5-bromo-2-[2-(methylamino)propyl]phenyl]methanol has a molecular weight of 258.16 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[2-(methylamino)propyl]phenyl]methanol is sourced from PubChem (CID 84805928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).