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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Related Compounds

N,5-diethyl-1-methoxy-5-phenylheptan-4-amine
CID 115608699
N,3-diethyl-7-methyl-3-phenyloctan-4-amine
CID 63417594
1-cyclopropyl-N,3-diethyl-3-phenylpentan-2-amine
CID 64903846
5-ethyl-2-methyl-5-phenyl-N-propylheptan-4-amine
CID 63417732
5-ethyl-5-phenyl-N-propylhept-1-yn-4-amine
CID 55180393
1-cyclohexyl-N,2-diethyl-2-phenylbutan-1-amine
CID 63417640
1-ethoxy-4-ethyl-4-phenylhexan-3-amine
CID 114992855
(2S)-3-ethyl-3-phenylpentan-2-amine
CID 64712581
(5-ethyl-2-methyl-5-phenylhept-1-en-4-yl)hydrazine
CID 105217758
N-ethyl-2,5-dimethyl-2,5-diphenylhexan-3-amine
CID 154638784
3-ethyl-3-phenyl-N-propyloct-7-yn-4-amine
CID 63644186
N-ethyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 55120507

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).