2-amino-1-(3-bromo-5-cyclopentyl-4-methoxyphenyl)ethanol

C14H20BrNO2 — CID 117499852

IUPAC2-amino-1-(3-bromo-5-cyclopentyl-4-methoxyphenyl)ethanol
SMILESCOc1c(Br)cc(C(O)CN)cc1C1CCCC1
InChIInChI=1S/C14H20BrNO2/c1-18-14-11(9-4-2-3-5-9)6-10(7-12(14)15)13(17)8-16/h6-7,9,13,17H,2-5,8,16H2,1H3
InChIKeyVXWLWJQTJFSLNP-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.11
Rot. Bonds4

About 2-amino-1-(3-bromo-5-cyclopentyl-4-methoxyphenyl)ethanol

2-amino-1-(3-bromo-5-cyclopentyl-4-methoxyphenyl)ethanol (PubChem CID 117499852) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-amino-1-(3-bromo-5-cyclopentyl-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3-bromo-5-cyclopentyl-4-methoxyphenyl)ethanol
PubChem CID117499852
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-amino-1-(3-bromo-5-cyclopentyl-4-methoxyphenyl)ethanol
SMILESCOc1c(Br)cc(C(O)CN)cc1C1CCCC1
InChIInChI=1S/C14H20BrNO2/c1-18-14-11(9-4-2-3-5-9)6-10(7-12(14)15)13(17)8-16/h6-7,9,13,17H,2-5,8,16H2,1H3
InChIKeyVXWLWJQTJFSLNP-UHFFFAOYSA-N
XLogP3.11
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 117497482
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CID 117495098
3-bromo-5-cyclopentyl-4-methoxybenzaldehyde
CID 117454995
3-(3-bromo-2-methoxy-5-propan-2-ylphenyl)pyrrolidine
CID 117480582
2-amino-1-(2-cyclohexylphenyl)ethanol
CID 83837309
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CID 117489356
2-amino-1-(5-bromo-2-methoxy-3,4-dimethylphenyl)ethanol
CID 83904205
1,3,5-tricyclohexyl-2-methoxybenzene
CID 123898644
3-amino-2-(3-cyclopentyl-4-methoxyphenyl)propanoic acid
CID 117412953
2-amino-1-(4-cyclohexylphenyl)ethanol
CID 82114264
2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714352
2-amino-1-[3-bromo-4-(oxolan-3-yl)phenyl]ethanol
CID 117460859

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-bromo-5-cyclopentyl-4-methoxyphenyl)ethanol?
The IUPAC name of 2-amino-1-(3-bromo-5-cyclopentyl-4-methoxyphenyl)ethanol (CID 117499852) is 2-amino-1-(3-bromo-5-cyclopentyl-4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(3-bromo-5-cyclopentyl-4-methoxyphenyl)ethanol?
The canonical SMILES for 2-amino-1-(3-bromo-5-cyclopentyl-4-methoxyphenyl)ethanol is COc1c(Br)cc(C(O)CN)cc1C1CCCC1.
What is the InChIKey of 2-amino-1-(3-bromo-5-cyclopentyl-4-methoxyphenyl)ethanol?
The InChIKey is VXWLWJQTJFSLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-18-14-11(9-4-2-3-5-9)6-10(7-12(14)15)13(17)8-16/h6-7,9,13,17H,2-5,8,16H2,1H3.
What are the key properties of 2-amino-1-(3-bromo-5-cyclopentyl-4-methoxyphenyl)ethanol?
2-amino-1-(3-bromo-5-cyclopentyl-4-methoxyphenyl)ethanol has a molecular weight of 314.22 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-bromo-5-cyclopentyl-4-methoxyphenyl)ethanol is sourced from PubChem (CID 117499852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).