1-methoxy-5-methyl-1-phenylhexan-2-amine

C14H23NO — CID 116772767

IUPAC1-methoxy-5-methyl-1-phenylhexan-2-amine
SMILESCOC(c1ccccc1)C(N)CCC(C)C
InChIInChI=1S/C14H23NO/c1-11(2)9-10-13(15)14(16-3)12-7-5-4-6-8-12/h4-8,11,13-14H,9-10,15H2,1-3H3
InChIKeyJPJHSRPLDBBJGT-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.14
Rot. Bonds6

About 1-methoxy-5-methyl-1-phenylhexan-2-amine

1-methoxy-5-methyl-1-phenylhexan-2-amine (PubChem CID 116772767) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-methoxy-5-methyl-1-phenylhexan-2-amine.

Molecular Properties

Compound Name1-methoxy-5-methyl-1-phenylhexan-2-amine
PubChem CID116772767
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-methoxy-5-methyl-1-phenylhexan-2-amine
SMILESCOC(c1ccccc1)C(N)CCC(C)C
InChIInChI=1S/C14H23NO/c1-11(2)9-10-13(15)14(16-3)12-7-5-4-6-8-12/h4-8,11,13-14H,9-10,15H2,1-3H3
InChIKeyJPJHSRPLDBBJGT-UHFFFAOYSA-N
XLogP3.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5-methyl-1-phenylhexan-2-amine?
The IUPAC name of 1-methoxy-5-methyl-1-phenylhexan-2-amine (CID 116772767) is 1-methoxy-5-methyl-1-phenylhexan-2-amine.
What is the SMILES notation for 1-methoxy-5-methyl-1-phenylhexan-2-amine?
The canonical SMILES for 1-methoxy-5-methyl-1-phenylhexan-2-amine is COC(c1ccccc1)C(N)CCC(C)C.
What is the InChIKey of 1-methoxy-5-methyl-1-phenylhexan-2-amine?
The InChIKey is JPJHSRPLDBBJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)9-10-13(15)14(16-3)12-7-5-4-6-8-12/h4-8,11,13-14H,9-10,15H2,1-3H3.
What are the key properties of 1-methoxy-5-methyl-1-phenylhexan-2-amine?
1-methoxy-5-methyl-1-phenylhexan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5-methyl-1-phenylhexan-2-amine is sourced from PubChem (CID 116772767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).