(2R)-1-[(2-bromo-5-fluorophenyl)methylamino]propan-2-ol

C10H13BrFNO — CID 93083077

IUPAC(2R)-1-[(2-bromo-5-fluorophenyl)methylamino]propan-2-ol
SMILESC[C@@H](O)CNCc1cc(F)ccc1Br
InChIInChI=1S/C10H13BrFNO/c1-7(14)5-13-6-8-4-9(12)2-3-10(8)11/h2-4,7,13-14H,5-6H2,1H3/t7-/m1/s1
InChIKeyMQWWQIWMCVVMAN-SSDOTTSWSA-N
MW262.12 g/mol
LogP2.06
Rot. Bonds4

About (2R)-1-[(2-bromo-5-fluorophenyl)methylamino]propan-2-ol

(2R)-1-[(2-bromo-5-fluorophenyl)methylamino]propan-2-ol (PubChem CID 93083077) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is (2R)-1-[(2-bromo-5-fluorophenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2-bromo-5-fluorophenyl)methylamino]propan-2-ol
PubChem CID93083077
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name(2R)-1-[(2-bromo-5-fluorophenyl)methylamino]propan-2-ol
SMILESC[C@@H](O)CNCc1cc(F)ccc1Br
InChIInChI=1S/C10H13BrFNO/c1-7(14)5-13-6-8-4-9(12)2-3-10(8)11/h2-4,7,13-14H,5-6H2,1H3/t7-/m1/s1
InChIKeyMQWWQIWMCVVMAN-SSDOTTSWSA-N
XLogP2.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 28566155
3-[(2-bromo-5-fluorophenyl)methylamino]-2-methylpropan-1-ol
CID 65036447
N-[(2-bromo-5-fluorophenyl)methyl]-2-phenylpropan-1-amine
CID 63452893
3-[(2-bromo-5-fluorophenyl)methylamino]-3-methylbutan-2-ol
CID 115866772
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115967971
N-[(2-bromo-5-fluorophenyl)methyl]-5-methylhexan-1-amine
CID 113287438
1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride
CID 86811714
N-[(2-bromo-5-fluorophenyl)methyl]-2-methylidenebutan-1-amine
CID 66047118
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3,5-difluorophenyl)methanamine
CID 115767644
2-N-[(2-bromo-5-fluorophenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 54958788
2-[(2-bromo-5-fluorophenyl)methylamino]-N,N-dimethylacetamide
CID 43310970
2-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-4-methylphenol
CID 63324433

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-bromo-5-fluorophenyl)methylamino]propan-2-ol?
The IUPAC name of (2R)-1-[(2-bromo-5-fluorophenyl)methylamino]propan-2-ol (CID 93083077) is (2R)-1-[(2-bromo-5-fluorophenyl)methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2-bromo-5-fluorophenyl)methylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[(2-bromo-5-fluorophenyl)methylamino]propan-2-ol is C[C@@H](O)CNCc1cc(F)ccc1Br.
What is the InChIKey of (2R)-1-[(2-bromo-5-fluorophenyl)methylamino]propan-2-ol?
The InChIKey is MQWWQIWMCVVMAN-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-7(14)5-13-6-8-4-9(12)2-3-10(8)11/h2-4,7,13-14H,5-6H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-1-[(2-bromo-5-fluorophenyl)methylamino]propan-2-ol?
(2R)-1-[(2-bromo-5-fluorophenyl)methylamino]propan-2-ol has a molecular weight of 262.12 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-bromo-5-fluorophenyl)methylamino]propan-2-ol is sourced from PubChem (CID 93083077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).