2-ethoxy-2-methyl-6-phenylhexan-3-amine

C15H25NO — CID 116726300

IUPAC2-ethoxy-2-methyl-6-phenylhexan-3-amine
SMILESCCOC(C)(C)C(N)CCCc1ccccc1
InChIInChI=1S/C15H25NO/c1-4-17-15(2,3)14(16)12-8-11-13-9-6-5-7-10-13/h5-7,9-10,14H,4,8,11-12,16H2,1-3H3
InChIKeySRRYGGJJKJKZGW-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.15
Rot. Bonds7

About 2-ethoxy-2-methyl-6-phenylhexan-3-amine

2-ethoxy-2-methyl-6-phenylhexan-3-amine (PubChem CID 116726300) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-6-phenylhexan-3-amine.

Molecular Properties

Compound Name2-ethoxy-2-methyl-6-phenylhexan-3-amine
PubChem CID116726300
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-ethoxy-2-methyl-6-phenylhexan-3-amine
SMILESCCOC(C)(C)C(N)CCCc1ccccc1
InChIInChI=1S/C15H25NO/c1-4-17-15(2,3)14(16)12-8-11-13-9-6-5-7-10-13/h5-7,9-10,14H,4,8,11-12,16H2,1-3H3
InChIKeySRRYGGJJKJKZGW-UHFFFAOYSA-N
XLogP3.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-6-phenylhexan-3-amine?
The IUPAC name of 2-ethoxy-2-methyl-6-phenylhexan-3-amine (CID 116726300) is 2-ethoxy-2-methyl-6-phenylhexan-3-amine.
What is the SMILES notation for 2-ethoxy-2-methyl-6-phenylhexan-3-amine?
The canonical SMILES for 2-ethoxy-2-methyl-6-phenylhexan-3-amine is CCOC(C)(C)C(N)CCCc1ccccc1.
What is the InChIKey of 2-ethoxy-2-methyl-6-phenylhexan-3-amine?
The InChIKey is SRRYGGJJKJKZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-17-15(2,3)14(16)12-8-11-13-9-6-5-7-10-13/h5-7,9-10,14H,4,8,11-12,16H2,1-3H3.
What are the key properties of 2-ethoxy-2-methyl-6-phenylhexan-3-amine?
2-ethoxy-2-methyl-6-phenylhexan-3-amine has a molecular weight of 235.37 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-6-phenylhexan-3-amine is sourced from PubChem (CID 116726300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).