2-bromo-4-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenol

C10H14BrNO2 — CID 114985567

IUPAC2-bromo-4-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenol
SMILESC[C@H](CO)NCc1ccc(O)c(Br)c1
InChIInChI=1S/C10H14BrNO2/c1-7(6-13)12-5-8-2-3-10(14)9(11)4-8/h2-4,7,12-14H,5-6H2,1H3/t7-/m1/s1
InChIKeyDKSGJRODIWELAG-SSDOTTSWSA-N
MW260.13 g/mol
LogP1.63
Rot. Bonds4

About 2-bromo-4-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenol

2-bromo-4-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenol (PubChem CID 114985567) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 2-bromo-4-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenol
PubChem CID114985567
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name2-bromo-4-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenol
SMILESC[C@H](CO)NCc1ccc(O)c(Br)c1
InChIInChI=1S/C10H14BrNO2/c1-7(6-13)12-5-8-2-3-10(14)9(11)4-8/h2-4,7,12-14H,5-6H2,1H3/t7-/m1/s1
InChIKeyDKSGJRODIWELAG-SSDOTTSWSA-N
XLogP1.63
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3-bromo-4-chlorophenyl)methylamino]propan-1-ol
CID 114987242
2-bromo-4-[(1-hydroxybutan-2-ylamino)methyl]phenol
CID 60657425
2-bromo-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
CID 81351567
4-[(1-hydroxypropan-2-ylamino)methyl]phenol
CID 43499774
4-[(1-hydroxypropan-2-ylamino)methyl]-2-nitrophenol
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2-bromo-4-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 81353451
methyl (2S)-2-[(3-bromo-4-hydroxyphenyl)methylamino]-3-methylbutanoate
CID 55145808
2-bromo-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenol
CID 81375588
2-bromo-4-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]phenol
CID 63047104
2-bromo-4-[[1-(2-fluorophenyl)ethylamino]methyl]phenol
CID 55025832
4-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzene-1,2-diol
CID 79253374
(2R)-2-[(3,4-dimethoxyphenyl)methylamino]propan-1-ol
CID 114985562

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenol?
The IUPAC name of 2-bromo-4-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenol (CID 114985567) is 2-bromo-4-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenol.
What is the SMILES notation for 2-bromo-4-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenol?
The canonical SMILES for 2-bromo-4-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenol is C[C@H](CO)NCc1ccc(O)c(Br)c1.
What is the InChIKey of 2-bromo-4-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenol?
The InChIKey is DKSGJRODIWELAG-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-7(6-13)12-5-8-2-3-10(14)9(11)4-8/h2-4,7,12-14H,5-6H2,1H3/t7-/m1/s1.
What are the key properties of 2-bromo-4-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenol?
2-bromo-4-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenol has a molecular weight of 260.13 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenol is sourced from PubChem (CID 114985567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).