(4-bromophenyl)methyl-[(2R)-2-hydroxypropyl]azanium

C10H15BrNO+ — CID 7827918

IUPAC(4-bromophenyl)methyl-[(2R)-2-hydroxypropyl]azanium
SMILESC[C@@H](O)C[NH2+]Cc1ccc(Br)cc1
InChIInChI=1S/C10H14BrNO/c1-8(13)6-12-7-9-2-4-10(11)5-3-9/h2-5,8,12-13H,6-7H2,1H3/p+1/t8-/m1/s1
InChIKeyIHROTJHEXIOMFJ-MRVPVSSYSA-O
MW245.14 g/mol
LogP0.89
Rot. Bonds4

About (4-bromophenyl)methyl-[(2R)-2-hydroxypropyl]azanium

(4-bromophenyl)methyl-[(2R)-2-hydroxypropyl]azanium (PubChem CID 7827918) has the molecular formula C10H15BrNO+ and a molecular weight of 245.14 g/mol. Its IUPAC name is (4-bromophenyl)methyl-[(2R)-2-hydroxypropyl]azanium.

Molecular Properties

Compound Name(4-bromophenyl)methyl-[(2R)-2-hydroxypropyl]azanium
PubChem CID7827918
Molecular FormulaC10H15BrNO+
Molecular Weight245.14 g/mol
Exact Mass244.03
IUPAC Name(4-bromophenyl)methyl-[(2R)-2-hydroxypropyl]azanium
SMILESC[C@@H](O)C[NH2+]Cc1ccc(Br)cc1
InChIInChI=1S/C10H14BrNO/c1-8(13)6-12-7-9-2-4-10(11)5-3-9/h2-5,8,12-13H,6-7H2,1H3/p+1/t8-/m1/s1
InChIKeyIHROTJHEXIOMFJ-MRVPVSSYSA-O
XLogP0.89
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.14
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[5-(4-bromophenyl)furan-2-yl]methyl-[2-[[(2R)-2-hydroxypropyl]azaniumyl]ethyl]azanium
CID 7425197
(4-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 3504597
[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl-[(2R)-2-hydroxypropyl]azanium
CID 7450436
1-(4-bromophenyl)-3-methylbutane-2-thione
CID 57012417
2-(4-bromophenyl)ethane-1,1-diol
CID 54153595
1-bromo-4-(2-bromopropyl)benzene
CID 63017795
[3-(dimethylsulfamoyl)phenyl]methyl-[(2R)-2-hydroxypropyl]azanium
CID 2455455
(4-bromophenyl)methyl-(3-ethoxypropyl)azanium
CID 7951677
1-[1-[(4-bromophenyl)methyl]cyclopropyl]ethanol
CID 106798145
(2S)-1-(4-bromoanilino)propan-2-ol
CID 39247732
1-(4-bromophenyl)-3,3-dimethylbutan-2-ol
CID 60798446
2-(4-bromophenyl)-1-fluoroethanol
CID 163366125

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl-[(2R)-2-hydroxypropyl]azanium?
The IUPAC name of (4-bromophenyl)methyl-[(2R)-2-hydroxypropyl]azanium (CID 7827918) is (4-bromophenyl)methyl-[(2R)-2-hydroxypropyl]azanium.
What is the SMILES notation for (4-bromophenyl)methyl-[(2R)-2-hydroxypropyl]azanium?
The canonical SMILES for (4-bromophenyl)methyl-[(2R)-2-hydroxypropyl]azanium is C[C@@H](O)C[NH2+]Cc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)methyl-[(2R)-2-hydroxypropyl]azanium?
The InChIKey is IHROTJHEXIOMFJ-MRVPVSSYSA-O. The full InChI is InChI=1S/C10H14BrNO/c1-8(13)6-12-7-9-2-4-10(11)5-3-9/h2-5,8,12-13H,6-7H2,1H3/p+1/t8-/m1/s1.
What are the key properties of (4-bromophenyl)methyl-[(2R)-2-hydroxypropyl]azanium?
(4-bromophenyl)methyl-[(2R)-2-hydroxypropyl]azanium has a molecular weight of 245.14 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl-[(2R)-2-hydroxypropyl]azanium is sourced from PubChem (CID 7827918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).