N-ethyl-1-methoxy-2-phenylhexan-3-amine

C15H25NO — CID 103466366

IUPACN-ethyl-1-methoxy-2-phenylhexan-3-amine
SMILESCCCC(NCC)C(COC)c1ccccc1
InChIInChI=1S/C15H25NO/c1-4-9-15(16-5-2)14(12-17-3)13-10-7-6-8-11-13/h6-8,10-11,14-16H,4-5,9,12H2,1-3H3
InChIKeyKMERQBBZUOHVHE-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.19
Rot. Bonds8

About N-ethyl-1-methoxy-2-phenylhexan-3-amine

N-ethyl-1-methoxy-2-phenylhexan-3-amine (PubChem CID 103466366) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-ethyl-1-methoxy-2-phenylhexan-3-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-2-phenylhexan-3-amine
PubChem CID103466366
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-ethyl-1-methoxy-2-phenylhexan-3-amine
SMILESCCCC(NCC)C(COC)c1ccccc1
InChIInChI=1S/C15H25NO/c1-4-9-15(16-5-2)14(12-17-3)13-10-7-6-8-11-13/h6-8,10-11,14-16H,4-5,9,12H2,1-3H3
InChIKeyKMERQBBZUOHVHE-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-2-phenylhexan-3-amine?
The IUPAC name of N-ethyl-1-methoxy-2-phenylhexan-3-amine (CID 103466366) is N-ethyl-1-methoxy-2-phenylhexan-3-amine.
What is the SMILES notation for N-ethyl-1-methoxy-2-phenylhexan-3-amine?
The canonical SMILES for N-ethyl-1-methoxy-2-phenylhexan-3-amine is CCCC(NCC)C(COC)c1ccccc1.
What is the InChIKey of N-ethyl-1-methoxy-2-phenylhexan-3-amine?
The InChIKey is KMERQBBZUOHVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-9-15(16-5-2)14(12-17-3)13-10-7-6-8-11-13/h6-8,10-11,14-16H,4-5,9,12H2,1-3H3.
What are the key properties of N-ethyl-1-methoxy-2-phenylhexan-3-amine?
N-ethyl-1-methoxy-2-phenylhexan-3-amine has a molecular weight of 235.37 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-2-phenylhexan-3-amine is sourced from PubChem (CID 103466366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).