2-amino-2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)ethanol

C14H20ClNO3 — CID 117460411

IUPAC2-amino-2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)ethanol
SMILESCOc1ccc(Cl)c(C(N)CO)c1OC1CCCC1
InChIInChI=1S/C14H20ClNO3/c1-18-12-7-6-10(15)13(11(16)8-17)14(12)19-9-4-2-3-5-9/h6-7,9,11,17H,2-5,8,16H2,1H3
InChIKeyIASXLBOMMDBGRF-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.66
Rot. Bonds5

About 2-amino-2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)ethanol

2-amino-2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)ethanol (PubChem CID 117460411) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-amino-2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)ethanol
PubChem CID117460411
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name2-amino-2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)ethanol
SMILESCOc1ccc(Cl)c(C(N)CO)c1OC1CCCC1
InChIInChI=1S/C14H20ClNO3/c1-18-12-7-6-10(15)13(11(16)8-17)14(12)19-9-4-2-3-5-9/h6-7,9,11,17H,2-5,8,16H2,1H3
InChIKeyIASXLBOMMDBGRF-UHFFFAOYSA-N
XLogP2.66
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)-N-methylethanamine
CID 117456580
2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)ethanol
CID 117409035
2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid
CID 117481112
1-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine
CID 117494434
2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol
CID 117458643
3-cyclopentyloxy-2-fluoro-4-methoxyphenol
CID 125116751
3-chloro-4-cyclopentyloxy-5-methoxyphenol
CID 84703480
2-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol
CID 117458641
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768
(2-cyclopentyloxy-3-methoxyphenyl)methanamine
CID 43471488
(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
CID 42579797
2-amino-2-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol
CID 115005257

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)ethanol?
The IUPAC name of 2-amino-2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)ethanol (CID 117460411) is 2-amino-2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)ethanol?
The canonical SMILES for 2-amino-2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)ethanol is COc1ccc(Cl)c(C(N)CO)c1OC1CCCC1.
What is the InChIKey of 2-amino-2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)ethanol?
The InChIKey is IASXLBOMMDBGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-18-12-7-6-10(15)13(11(16)8-17)14(12)19-9-4-2-3-5-9/h6-7,9,11,17H,2-5,8,16H2,1H3.
What are the key properties of 2-amino-2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)ethanol?
2-amino-2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)ethanol has a molecular weight of 285.77 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)ethanol is sourced from PubChem (CID 117460411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).