2-(3-chlorophenoxy)-5-methyloctan-3-amine

C15H24ClNO — CID 105137963

IUPAC2-(3-chlorophenoxy)-5-methyloctan-3-amine
SMILESCCCC(C)CC(N)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C15H24ClNO/c1-4-6-11(2)9-15(17)12(3)18-14-8-5-7-13(16)10-14/h5,7-8,10-12,15H,4,6,9,17H2,1-3H3
InChIKeyRMXPHOYMGQIOSZ-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.26
Rot. Bonds7

About 2-(3-chlorophenoxy)-5-methyloctan-3-amine

2-(3-chlorophenoxy)-5-methyloctan-3-amine (PubChem CID 105137963) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-5-methyloctan-3-amine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-5-methyloctan-3-amine
PubChem CID105137963
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-(3-chlorophenoxy)-5-methyloctan-3-amine
SMILESCCCC(C)CC(N)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C15H24ClNO/c1-4-6-11(2)9-15(17)12(3)18-14-8-5-7-13(16)10-14/h5,7-8,10-12,15H,4,6,9,17H2,1-3H3
InChIKeyRMXPHOYMGQIOSZ-UHFFFAOYSA-N
XLogP4.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 105168932
1-(2-chloro-5-fluorophenyl)-3-(3-chlorophenoxy)butan-2-amine
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3-(3-chlorophenoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 105171525
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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-5-methyloctan-3-amine?
The IUPAC name of 2-(3-chlorophenoxy)-5-methyloctan-3-amine (CID 105137963) is 2-(3-chlorophenoxy)-5-methyloctan-3-amine.
What is the SMILES notation for 2-(3-chlorophenoxy)-5-methyloctan-3-amine?
The canonical SMILES for 2-(3-chlorophenoxy)-5-methyloctan-3-amine is CCCC(C)CC(N)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-5-methyloctan-3-amine?
The InChIKey is RMXPHOYMGQIOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-4-6-11(2)9-15(17)12(3)18-14-8-5-7-13(16)10-14/h5,7-8,10-12,15H,4,6,9,17H2,1-3H3.
What are the key properties of 2-(3-chlorophenoxy)-5-methyloctan-3-amine?
2-(3-chlorophenoxy)-5-methyloctan-3-amine has a molecular weight of 269.82 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-5-methyloctan-3-amine is sourced from PubChem (CID 105137963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).