3-amino-2-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)propan-1-ol

C16H20ClNO3 — CID 79086034

IUPAC3-amino-2-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)propan-1-ol
SMILESCCc1ccc(C(O)C(CN)c2cc(Cl)ccc2OC)o1
InChIInChI=1S/C16H20ClNO3/c1-3-11-5-7-15(21-11)16(19)13(9-18)12-8-10(17)4-6-14(12)20-2/h4-8,13,16,19H,3,9,18H2,1-2H3
InChIKeyLMGAUZCRAUQEQR-UHFFFAOYSA-N
MW309.79 g/mol
LogP3.28
Rot. Bonds6

About 3-amino-2-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)propan-1-ol

3-amino-2-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)propan-1-ol (PubChem CID 79086034) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is 3-amino-2-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)propan-1-ol
PubChem CID79086034
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name3-amino-2-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)propan-1-ol
SMILESCCc1ccc(C(O)C(CN)c2cc(Cl)ccc2OC)o1
InChIInChI=1S/C16H20ClNO3/c1-3-11-5-7-15(21-11)16(19)13(9-18)12-8-10(17)4-6-14(12)20-2/h4-8,13,16,19H,3,9,18H2,1-2H3
InChIKeyLMGAUZCRAUQEQR-UHFFFAOYSA-N
XLogP3.28
TPSA68.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 79083794
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1-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 62346399
3-amino-2-(5-chloro-2-methoxyphenyl)-1-pyridin-4-ylpropan-1-ol
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CID 65190060
3-amino-1-(5-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525686
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CID 65190623
1-amino-2-(5-chloro-2-methoxyphenyl)octan-3-ol
CID 65190622
3-amino-2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol
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CID 65189958
3-amino-2-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)propan-1-ol
CID 65189959
3-amino-1-(4-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525805

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)propan-1-ol (CID 79086034) is 3-amino-2-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)propan-1-ol is CCc1ccc(C(O)C(CN)c2cc(Cl)ccc2OC)o1.
What is the InChIKey of 3-amino-2-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)propan-1-ol?
The InChIKey is LMGAUZCRAUQEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c1-3-11-5-7-15(21-11)16(19)13(9-18)12-8-10(17)4-6-14(12)20-2/h4-8,13,16,19H,3,9,18H2,1-2H3.
What are the key properties of 3-amino-2-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)propan-1-ol?
3-amino-2-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)propan-1-ol has a molecular weight of 309.79 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(5-chloro-2-methoxyphenyl)-1-(5-ethylfuran-2-yl)propan-1-ol is sourced from PubChem (CID 79086034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).