(3R)-3-(2-ethoxyethyl)-3-phenylhexan-2-imine

C16H25NO — CID 125466316

IUPAC(3R)-3-(2-ethoxyethyl)-3-phenylhexan-2-imine
SMILES[H]/N=C(\C)[C@](CCC)(CCOCC)c1ccccc1
InChIInChI=1S/C16H25NO/c1-4-11-16(14(3)17,12-13-18-5-2)15-9-7-6-8-10-15/h6-10,17H,4-5,11-13H2,1-3H3/b17-14+/t16-/m0/s1
InChIKeyKHRCLEFJBJQDRS-WUVIJCSQSA-N
MW247.38 g/mol
LogP4.19
Rot. Bonds8

About (3R)-3-(2-ethoxyethyl)-3-phenylhexan-2-imine

(3R)-3-(2-ethoxyethyl)-3-phenylhexan-2-imine (PubChem CID 125466316) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (3R)-3-(2-ethoxyethyl)-3-phenylhexan-2-imine.

Molecular Properties

Compound Name(3R)-3-(2-ethoxyethyl)-3-phenylhexan-2-imine
PubChem CID125466316
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(3R)-3-(2-ethoxyethyl)-3-phenylhexan-2-imine
SMILES[H]/N=C(\C)[C@](CCC)(CCOCC)c1ccccc1
InChIInChI=1S/C16H25NO/c1-4-11-16(14(3)17,12-13-18-5-2)15-9-7-6-8-10-15/h6-10,17H,4-5,11-13H2,1-3H3/b17-14+/t16-/m0/s1
InChIKeyKHRCLEFJBJQDRS-WUVIJCSQSA-N
XLogP4.19
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (3R)-3-(2-ethoxyethyl)-3-phenylhexan-2-imine 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

2-(aminomethyl)-4-ethoxy-2-phenylbutanoic acid
CID 106489363
ethoxyethane;triphenylmethanol
CID 70428584
ethyl 2-hydroxy-2,2-diphenylethanimidate
CID 139840851
2-amino-4-(2-ethoxyethoxy)-2-phenylbutan-1-ol
CID 116695460
2-(aminomethyl)-4-ethoxy-2-phenylbutan-1-ol
CID 106508031
4-(2-ethoxyethoxy)-2-(methylamino)-2-phenylbutanamide
CID 116694151
4-(2-ethoxyethoxy)-2-phenyl-2-(propylamino)butanenitrile
CID 116692830
4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694277
4-(2-ethoxyethoxy)-2-(ethylamino)-2-phenylbutanenitrile
CID 116692834
3-butyl-3-phenylheptan-2-one
CID 11776692
(2-ethoxy-1,1-diphenylethyl)benzene
CID 58693364
CID 173375718
CID 173375718

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-ethoxyethyl)-3-phenylhexan-2-imine?
The IUPAC name of (3R)-3-(2-ethoxyethyl)-3-phenylhexan-2-imine (CID 125466316) is (3R)-3-(2-ethoxyethyl)-3-phenylhexan-2-imine.
What is the SMILES notation for (3R)-3-(2-ethoxyethyl)-3-phenylhexan-2-imine?
The canonical SMILES for (3R)-3-(2-ethoxyethyl)-3-phenylhexan-2-imine is [H]/N=C(\C)[C@](CCC)(CCOCC)c1ccccc1.
What is the InChIKey of (3R)-3-(2-ethoxyethyl)-3-phenylhexan-2-imine?
The InChIKey is KHRCLEFJBJQDRS-WUVIJCSQSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-11-16(14(3)17,12-13-18-5-2)15-9-7-6-8-10-15/h6-10,17H,4-5,11-13H2,1-3H3/b17-14+/t16-/m0/s1.
What are the key properties of (3R)-3-(2-ethoxyethyl)-3-phenylhexan-2-imine?
(3R)-3-(2-ethoxyethyl)-3-phenylhexan-2-imine has a molecular weight of 247.38 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-ethoxyethyl)-3-phenylhexan-2-imine is sourced from PubChem (CID 125466316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).