3-ethoxy-3-ethyl-N-methyl-1-phenylpentan-2-amine

C16H27NO — CID 116759829

IUPAC3-ethoxy-3-ethyl-N-methyl-1-phenylpentan-2-amine
SMILESCCOC(CC)(CC)C(Cc1ccccc1)NC
InChIInChI=1S/C16H27NO/c1-5-16(6-2,18-7-3)15(17-4)13-14-11-9-8-10-12-14/h8-12,15,17H,5-7,13H2,1-4H3
InChIKeyMJVBEYKMQNHTDN-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.41
Rot. Bonds8

About 3-ethoxy-3-ethyl-N-methyl-1-phenylpentan-2-amine

3-ethoxy-3-ethyl-N-methyl-1-phenylpentan-2-amine (PubChem CID 116759829) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-ethoxy-3-ethyl-N-methyl-1-phenylpentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-3-ethyl-N-methyl-1-phenylpentan-2-amine
PubChem CID116759829
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3-ethoxy-3-ethyl-N-methyl-1-phenylpentan-2-amine
SMILESCCOC(CC)(CC)C(Cc1ccccc1)NC
InChIInChI=1S/C16H27NO/c1-5-16(6-2,18-7-3)15(17-4)13-14-11-9-8-10-12-14/h8-12,15,17H,5-7,13H2,1-4H3
InChIKeyMJVBEYKMQNHTDN-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethoxy-3-ethyl-N-methyl-1-phenylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-3-methoxy-N-methyl-1-phenylpentan-2-amine
CID 116760798
3-ethoxy-3-ethyl-N-methyl-1-pyridin-4-ylpentan-2-amine
CID 116759816
3-ethoxy-3-ethyl-1-phenylpentan-2-amine
CID 116759543
3-ethoxy-3-ethyl-1-phenylpentan-2-ol
CID 116752448
4-ethoxy-N,4-dimethyl-1-phenylhexan-3-amine
CID 116758710
1-(2-chloro-6-fluorophenyl)-3-ethoxy-3-ethyl-N-methylpentan-2-amine
CID 116759886
3-ethoxy-N,3-diethyl-1-pyridin-4-ylpentan-2-amine
CID 116760085
1-(4-bromophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
CID 116758899
3-ethoxy-3-ethyl-1-(4-methylphenyl)-N-propylpentan-2-amine
CID 116760344
3-ethoxy-3-ethyl-N-methylheptan-4-amine
CID 116759889
3-[3-ethoxy-3-ethyl-2-(methylamino)pentyl]pyridin-4-amine
CID 116760021
1-(4-bromophenyl)-3-ethoxy-3-ethyl-N-propylpentan-2-amine
CID 116760397

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-ethyl-N-methyl-1-phenylpentan-2-amine?
The IUPAC name of 3-ethoxy-3-ethyl-N-methyl-1-phenylpentan-2-amine (CID 116759829) is 3-ethoxy-3-ethyl-N-methyl-1-phenylpentan-2-amine.
What is the SMILES notation for 3-ethoxy-3-ethyl-N-methyl-1-phenylpentan-2-amine?
The canonical SMILES for 3-ethoxy-3-ethyl-N-methyl-1-phenylpentan-2-amine is CCOC(CC)(CC)C(Cc1ccccc1)NC.
What is the InChIKey of 3-ethoxy-3-ethyl-N-methyl-1-phenylpentan-2-amine?
The InChIKey is MJVBEYKMQNHTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-16(6-2,18-7-3)15(17-4)13-14-11-9-8-10-12-14/h8-12,15,17H,5-7,13H2,1-4H3.
What are the key properties of 3-ethoxy-3-ethyl-N-methyl-1-phenylpentan-2-amine?
3-ethoxy-3-ethyl-N-methyl-1-phenylpentan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-ethyl-N-methyl-1-phenylpentan-2-amine is sourced from PubChem (CID 116759829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).