N,3-diethyl-1-methoxy-3-phenylpentan-2-amine

C16H27NO — CID 79575431

IUPACN,3-diethyl-1-methoxy-3-phenylpentan-2-amine
SMILESCCNC(COC)C(CC)(CC)c1ccccc1
InChIInChI=1S/C16H27NO/c1-5-16(6-2,14-11-9-8-10-12-14)15(13-18-4)17-7-3/h8-12,15,17H,5-7,13H2,1-4H3
InChIKeyQWYZLHBZCVIMQF-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.37
Rot. Bonds8

About N,3-diethyl-1-methoxy-3-phenylpentan-2-amine

N,3-diethyl-1-methoxy-3-phenylpentan-2-amine (PubChem CID 79575431) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N,3-diethyl-1-methoxy-3-phenylpentan-2-amine.

Molecular Properties

Compound NameN,3-diethyl-1-methoxy-3-phenylpentan-2-amine
PubChem CID79575431
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN,3-diethyl-1-methoxy-3-phenylpentan-2-amine
SMILESCCNC(COC)C(CC)(CC)c1ccccc1
InChIInChI=1S/C16H27NO/c1-5-16(6-2,14-11-9-8-10-12-14)15(13-18-4)17-7-3/h8-12,15,17H,5-7,13H2,1-4H3
InChIKeyQWYZLHBZCVIMQF-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-1-methoxy-3-phenylpentan-2-amine?
The IUPAC name of N,3-diethyl-1-methoxy-3-phenylpentan-2-amine (CID 79575431) is N,3-diethyl-1-methoxy-3-phenylpentan-2-amine.
What is the SMILES notation for N,3-diethyl-1-methoxy-3-phenylpentan-2-amine?
The canonical SMILES for N,3-diethyl-1-methoxy-3-phenylpentan-2-amine is CCNC(COC)C(CC)(CC)c1ccccc1.
What is the InChIKey of N,3-diethyl-1-methoxy-3-phenylpentan-2-amine?
The InChIKey is QWYZLHBZCVIMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-16(6-2,14-11-9-8-10-12-14)15(13-18-4)17-7-3/h8-12,15,17H,5-7,13H2,1-4H3.
What are the key properties of N,3-diethyl-1-methoxy-3-phenylpentan-2-amine?
N,3-diethyl-1-methoxy-3-phenylpentan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-1-methoxy-3-phenylpentan-2-amine is sourced from PubChem (CID 79575431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).