(2R)-2-[(5-bromo-3-methoxy-2-propan-2-yloxyphenyl)methylamino]butan-1-ol

C15H24BrNO3 — CID 51989422

IUPAC(2R)-2-[(5-bromo-3-methoxy-2-propan-2-yloxyphenyl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1cc(Br)cc(OC)c1OC(C)C
InChIInChI=1S/C15H24BrNO3/c1-5-13(9-18)17-8-11-6-12(16)7-14(19-4)15(11)20-10(2)3/h6-7,10,13,17-18H,5,8-9H2,1-4H3/t13-/m1/s1
InChIKeyVWSBVIFGFWMDMQ-CYBMUJFWSA-N
MW346.27 g/mol
LogP3.11
Rot. Bonds8

About (2R)-2-[(5-bromo-3-methoxy-2-propan-2-yloxyphenyl)methylamino]butan-1-ol

(2R)-2-[(5-bromo-3-methoxy-2-propan-2-yloxyphenyl)methylamino]butan-1-ol (PubChem CID 51989422) has the molecular formula C15H24BrNO3 and a molecular weight of 346.27 g/mol. Its IUPAC name is (2R)-2-[(5-bromo-3-methoxy-2-propan-2-yloxyphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(5-bromo-3-methoxy-2-propan-2-yloxyphenyl)methylamino]butan-1-ol
PubChem CID51989422
Molecular FormulaC15H24BrNO3
Molecular Weight346.27 g/mol
Exact Mass345.09
IUPAC Name(2R)-2-[(5-bromo-3-methoxy-2-propan-2-yloxyphenyl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1cc(Br)cc(OC)c1OC(C)C
InChIInChI=1S/C15H24BrNO3/c1-5-13(9-18)17-8-11-6-12(16)7-14(19-4)15(11)20-10(2)3/h6-7,10,13,17-18H,5,8-9H2,1-4H3/t13-/m1/s1
InChIKeyVWSBVIFGFWMDMQ-CYBMUJFWSA-N
XLogP3.11
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(5-bromo-3-methoxy-2-propan-2-yloxyphenyl)methylamino]butan-1-ol with MolForge

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Related Compounds

(2R)-2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]butan-1-ol
CID 51675513
2-[(2-butan-2-yloxy-3-methoxyphenyl)methylamino]butan-1-ol
CID 54849236
(2R)-2-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol
CID 40726834
(2S)-2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]butan-1-ol
CID 40726282
(2S)-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol
CID 28724580
(2R)-N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-2-amine
CID 29228088
(2S)-2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]butan-1-ol
CID 40726286
(2S)-2-[(2,3-dimethoxyphenyl)methylamino]butan-1-ol
CID 7061563
2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol chloride
CID 53351262
2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 17292090
2-[[3-methoxy-2-(2-methylpropoxy)phenyl]methylamino]butan-1-ol
CID 54849183
2-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol
CID 2959836

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-bromo-3-methoxy-2-propan-2-yloxyphenyl)methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[(5-bromo-3-methoxy-2-propan-2-yloxyphenyl)methylamino]butan-1-ol (CID 51989422) is (2R)-2-[(5-bromo-3-methoxy-2-propan-2-yloxyphenyl)methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(5-bromo-3-methoxy-2-propan-2-yloxyphenyl)methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[(5-bromo-3-methoxy-2-propan-2-yloxyphenyl)methylamino]butan-1-ol is CC[C@H](CO)NCc1cc(Br)cc(OC)c1OC(C)C.
What is the InChIKey of (2R)-2-[(5-bromo-3-methoxy-2-propan-2-yloxyphenyl)methylamino]butan-1-ol?
The InChIKey is VWSBVIFGFWMDMQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24BrNO3/c1-5-13(9-18)17-8-11-6-12(16)7-14(19-4)15(11)20-10(2)3/h6-7,10,13,17-18H,5,8-9H2,1-4H3/t13-/m1/s1.
What are the key properties of (2R)-2-[(5-bromo-3-methoxy-2-propan-2-yloxyphenyl)methylamino]butan-1-ol?
(2R)-2-[(5-bromo-3-methoxy-2-propan-2-yloxyphenyl)methylamino]butan-1-ol has a molecular weight of 346.27 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-bromo-3-methoxy-2-propan-2-yloxyphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 51989422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).