(3R)-3-[(2-bromo-4-chlorophenyl)methylamino]butan-1-ol

C11H15BrClNO — CID 103854651

IUPAC(3R)-3-[(2-bromo-4-chlorophenyl)methylamino]butan-1-ol
SMILESC[C@H](CCO)NCc1ccc(Cl)cc1Br
InChIInChI=1S/C11H15BrClNO/c1-8(4-5-15)14-7-9-2-3-10(13)6-11(9)12/h2-3,6,8,14-15H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyBOMAJYQIUAPOPO-MRVPVSSYSA-N
MW292.60 g/mol
LogP2.96
Rot. Bonds5

About (3R)-3-[(2-bromo-4-chlorophenyl)methylamino]butan-1-ol

(3R)-3-[(2-bromo-4-chlorophenyl)methylamino]butan-1-ol (PubChem CID 103854651) has the molecular formula C11H15BrClNO and a molecular weight of 292.60 g/mol. Its IUPAC name is (3R)-3-[(2-bromo-4-chlorophenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(3R)-3-[(2-bromo-4-chlorophenyl)methylamino]butan-1-ol
PubChem CID103854651
Molecular FormulaC11H15BrClNO
Molecular Weight292.60 g/mol
Exact Mass291.00
IUPAC Name(3R)-3-[(2-bromo-4-chlorophenyl)methylamino]butan-1-ol
SMILESC[C@H](CCO)NCc1ccc(Cl)cc1Br
InChIInChI=1S/C11H15BrClNO/c1-8(4-5-15)14-7-9-2-3-10(13)6-11(9)12/h2-3,6,8,14-15H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyBOMAJYQIUAPOPO-MRVPVSSYSA-N
XLogP2.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.60
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-[(2-bromo-4-chlorophenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 81497506
3-[(2-bromo-4-fluorophenyl)methylamino]butan-1-ol
CID 81421994
2-[(2-bromo-4-chlorophenyl)methylamino]propanamide
CID 81495277
(2S)-4-[(2-bromo-4-chlorophenyl)methylamino]butan-2-ol
CID 97357963
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine
CID 81497013
2-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
CID 103825446
(2S)-2-[(2-bromo-4-chlorophenyl)methylamino]-4-methylpentanoic acid
CID 120510811
2-[(2,4-dibromophenyl)methylamino]propan-1-ol
CID 107938737
(2R)-2-[(2,4-dichlorophenyl)methylamino]propan-1-ol
CID 93082944
(3R)-3-[(2-chlorophenyl)methylamino]butan-1-ol
CID 103854781
2-[(2-bromo-4-chlorophenyl)methylamino]-N-propylpropanamide
CID 81495089
3-[(4-chloro-2-methylphenyl)methylamino]-4-methylpentan-1-ol
CID 104854271

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-bromo-4-chlorophenyl)methylamino]butan-1-ol?
The IUPAC name of (3R)-3-[(2-bromo-4-chlorophenyl)methylamino]butan-1-ol (CID 103854651) is (3R)-3-[(2-bromo-4-chlorophenyl)methylamino]butan-1-ol.
What is the SMILES notation for (3R)-3-[(2-bromo-4-chlorophenyl)methylamino]butan-1-ol?
The canonical SMILES for (3R)-3-[(2-bromo-4-chlorophenyl)methylamino]butan-1-ol is C[C@H](CCO)NCc1ccc(Cl)cc1Br.
What is the InChIKey of (3R)-3-[(2-bromo-4-chlorophenyl)methylamino]butan-1-ol?
The InChIKey is BOMAJYQIUAPOPO-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15BrClNO/c1-8(4-5-15)14-7-9-2-3-10(13)6-11(9)12/h2-3,6,8,14-15H,4-5,7H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-3-[(2-bromo-4-chlorophenyl)methylamino]butan-1-ol?
(3R)-3-[(2-bromo-4-chlorophenyl)methylamino]butan-1-ol has a molecular weight of 292.60 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-bromo-4-chlorophenyl)methylamino]butan-1-ol is sourced from PubChem (CID 103854651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).