2-[(2S,4S)-4-phenyl-2-propan-2-yloxan-4-yl]ethylazanium

C16H26NO+ — CID 7350813

IUPAC2-[(2S,4S)-4-phenyl-2-propan-2-yloxan-4-yl]ethylazanium
SMILESCC(C)[C@@H]1C[C@@](CC[NH3+])(c2ccccc2)CCO1
InChIInChI=1S/C16H25NO/c1-13(2)15-12-16(8-10-17,9-11-18-15)14-6-4-3-5-7-14/h3-7,13,15H,8-12,17H2,1-2H3/p+1/t15-,16-/m0/s1
InChIKeyWOJVWLYVRMDBAB-HOTGVXAUSA-O
MW248.39 g/mol
LogP2.39
Rot. Bonds4

About 2-[(2S,4S)-4-phenyl-2-propan-2-yloxan-4-yl]ethylazanium

2-[(2S,4S)-4-phenyl-2-propan-2-yloxan-4-yl]ethylazanium (PubChem CID 7350813) has the molecular formula C16H26NO+ and a molecular weight of 248.39 g/mol. Its IUPAC name is 2-[(2S,4S)-4-phenyl-2-propan-2-yloxan-4-yl]ethylazanium.

Molecular Properties

Compound Name2-[(2S,4S)-4-phenyl-2-propan-2-yloxan-4-yl]ethylazanium
PubChem CID7350813
Molecular FormulaC16H26NO+
Molecular Weight248.39 g/mol
Exact Mass248.20
IUPAC Name2-[(2S,4S)-4-phenyl-2-propan-2-yloxan-4-yl]ethylazanium
SMILESCC(C)[C@@H]1C[C@@](CC[NH3+])(c2ccccc2)CCO1
InChIInChI=1S/C16H25NO/c1-13(2)15-12-16(8-10-17,9-11-18-15)14-6-4-3-5-7-14/h3-7,13,15H,8-12,17H2,1-2H3/p+1/t15-,16-/m0/s1
InChIKeyWOJVWLYVRMDBAB-HOTGVXAUSA-O
XLogP2.39
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(2S,4S)-4-phenyl-2-propan-2-yloxan-4-yl]ethylazanium 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

1-[2-[(2S,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethyl]piperidin-1-ium
CID 6981772
2-[(2R,4R)-4-phenyl-2-propan-2-yloxan-4-yl]acetamide
CID 928210
furan-2-ylmethyl-[2-[(2R,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethyl]azanium
CID 6995808
N-[(2-fluorophenyl)methyl]-2-[(2S,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethanamine
CID 7122733
[4-(dimethylamino)phenyl]methyl-[2-[(2R,4R)-4-phenyl-2-propan-2-yloxan-4-yl]ethyl]azanium
CID 7069519
2-[(2S,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine
CID 906865
2-[(2R,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl-[(1S)-1-thiophen-2-ylethyl]azanium
CID 7464224
4-methyl-N-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]benzenesulfonamide
CID 3831515
1-(furan-2-yl)-N-[2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]methanimine
CID 6580000
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]azanium
CID 6578504
N-[(2-fluorophenyl)methyl]-N-[2-[(2R,4R)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]propanamide
CID 7463562
(1S)-1-(4-chlorophenyl)-N-[2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]ethanamine
CID 6851493

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S)-4-phenyl-2-propan-2-yloxan-4-yl]ethylazanium?
The IUPAC name of 2-[(2S,4S)-4-phenyl-2-propan-2-yloxan-4-yl]ethylazanium (CID 7350813) is 2-[(2S,4S)-4-phenyl-2-propan-2-yloxan-4-yl]ethylazanium.
What is the SMILES notation for 2-[(2S,4S)-4-phenyl-2-propan-2-yloxan-4-yl]ethylazanium?
The canonical SMILES for 2-[(2S,4S)-4-phenyl-2-propan-2-yloxan-4-yl]ethylazanium is CC(C)[C@@H]1C[C@@](CC[NH3+])(c2ccccc2)CCO1.
What is the InChIKey of 2-[(2S,4S)-4-phenyl-2-propan-2-yloxan-4-yl]ethylazanium?
The InChIKey is WOJVWLYVRMDBAB-HOTGVXAUSA-O. The full InChI is InChI=1S/C16H25NO/c1-13(2)15-12-16(8-10-17,9-11-18-15)14-6-4-3-5-7-14/h3-7,13,15H,8-12,17H2,1-2H3/p+1/t15-,16-/m0/s1.
What are the key properties of 2-[(2S,4S)-4-phenyl-2-propan-2-yloxan-4-yl]ethylazanium?
2-[(2S,4S)-4-phenyl-2-propan-2-yloxan-4-yl]ethylazanium has a molecular weight of 248.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S)-4-phenyl-2-propan-2-yloxan-4-yl]ethylazanium is sourced from PubChem (CID 7350813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).