5-methyl-1-phenoxyoctan-3-amine

C15H25NO — CID 55095717

IUPAC5-methyl-1-phenoxyoctan-3-amine
SMILESCCCC(C)CC(N)CCOc1ccccc1
InChIInChI=1S/C15H25NO/c1-3-7-13(2)12-14(16)10-11-17-15-8-5-4-6-9-15/h4-6,8-9,13-14H,3,7,10-12,16H2,1-2H3
InChIKeyHPLPSAVQXAMKND-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.61
Rot. Bonds8

About 5-methyl-1-phenoxyoctan-3-amine

5-methyl-1-phenoxyoctan-3-amine (PubChem CID 55095717) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-methyl-1-phenoxyoctan-3-amine.

Molecular Properties

Compound Name5-methyl-1-phenoxyoctan-3-amine
PubChem CID55095717
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name5-methyl-1-phenoxyoctan-3-amine
SMILESCCCC(C)CC(N)CCOc1ccccc1
InChIInChI=1S/C15H25NO/c1-3-7-13(2)12-14(16)10-11-17-15-8-5-4-6-9-15/h4-6,8-9,13-14H,3,7,10-12,16H2,1-2H3
InChIKeyHPLPSAVQXAMKND-UHFFFAOYSA-N
XLogP3.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenoxyoctan-3-amine?
The IUPAC name of 5-methyl-1-phenoxyoctan-3-amine (CID 55095717) is 5-methyl-1-phenoxyoctan-3-amine.
What is the SMILES notation for 5-methyl-1-phenoxyoctan-3-amine?
The canonical SMILES for 5-methyl-1-phenoxyoctan-3-amine is CCCC(C)CC(N)CCOc1ccccc1.
What is the InChIKey of 5-methyl-1-phenoxyoctan-3-amine?
The InChIKey is HPLPSAVQXAMKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-7-13(2)12-14(16)10-11-17-15-8-5-4-6-9-15/h4-6,8-9,13-14H,3,7,10-12,16H2,1-2H3.
What are the key properties of 5-methyl-1-phenoxyoctan-3-amine?
5-methyl-1-phenoxyoctan-3-amine has a molecular weight of 235.37 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenoxyoctan-3-amine is sourced from PubChem (CID 55095717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).