2-(3-chlorophenoxy)-N-ethyl-6-methoxy-4-methylhexan-3-amine

C16H26ClNO2 — CID 105184925

IUPAC2-(3-chlorophenoxy)-N-ethyl-6-methoxy-4-methylhexan-3-amine
SMILESCCNC(C(C)CCOC)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C16H26ClNO2/c1-5-18-16(12(2)9-10-19-4)13(3)20-15-8-6-7-14(17)11-15/h6-8,11-13,16,18H,5,9-10H2,1-4H3
InChIKeyHUYONXMLTKNSJG-UHFFFAOYSA-N
MW299.84 g/mol
LogP3.76
Rot. Bonds9

About 2-(3-chlorophenoxy)-N-ethyl-6-methoxy-4-methylhexan-3-amine

2-(3-chlorophenoxy)-N-ethyl-6-methoxy-4-methylhexan-3-amine (PubChem CID 105184925) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-ethyl-6-methoxy-4-methylhexan-3-amine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-ethyl-6-methoxy-4-methylhexan-3-amine
PubChem CID105184925
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name2-(3-chlorophenoxy)-N-ethyl-6-methoxy-4-methylhexan-3-amine
SMILESCCNC(C(C)CCOC)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C16H26ClNO2/c1-5-18-16(12(2)9-10-19-4)13(3)20-15-8-6-7-14(17)11-15/h6-8,11-13,16,18H,5,9-10H2,1-4H3
InChIKeyHUYONXMLTKNSJG-UHFFFAOYSA-N
XLogP3.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(3-chlorophenoxy)-N-propylpropan-1-amine
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1-(3-chlorophenoxy)-5-methoxy-3-methylpentan-2-one
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1-(3-chlorophenoxy)-4-methoxybutan-2-ol
CID 117236754
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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-ethyl-6-methoxy-4-methylhexan-3-amine?
The IUPAC name of 2-(3-chlorophenoxy)-N-ethyl-6-methoxy-4-methylhexan-3-amine (CID 105184925) is 2-(3-chlorophenoxy)-N-ethyl-6-methoxy-4-methylhexan-3-amine.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-ethyl-6-methoxy-4-methylhexan-3-amine?
The canonical SMILES for 2-(3-chlorophenoxy)-N-ethyl-6-methoxy-4-methylhexan-3-amine is CCNC(C(C)CCOC)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-ethyl-6-methoxy-4-methylhexan-3-amine?
The InChIKey is HUYONXMLTKNSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2/c1-5-18-16(12(2)9-10-19-4)13(3)20-15-8-6-7-14(17)11-15/h6-8,11-13,16,18H,5,9-10H2,1-4H3.
What are the key properties of 2-(3-chlorophenoxy)-N-ethyl-6-methoxy-4-methylhexan-3-amine?
2-(3-chlorophenoxy)-N-ethyl-6-methoxy-4-methylhexan-3-amine has a molecular weight of 299.84 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-ethyl-6-methoxy-4-methylhexan-3-amine is sourced from PubChem (CID 105184925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).