(2R)-N-[(2R)-2-butan-2-yloxy-2-phenylethyl]-2-methoxy-N-[(2R)-2-methoxy-2-phenylethyl]-2-phenylethanamine

C30H39NO3 — CID 146564671

IUPAC(2R)-N-[(2R)-2-butan-2-yloxy-2-phenylethyl]-2-methoxy-N-[(2R)-2-methoxy-2-phenylethyl]-2-phenylethanamine
SMILESCCC(C)O[C@@H](CN(C[C@H](OC)c1ccccc1)C[C@H](OC)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H39NO3/c1-5-24(2)34-30(27-19-13-8-14-20-27)23-31(21-28(32-3)25-15-9-6-10-16-25)22-29(33-4)26-17-11-7-12-18-26/h6-20,24,28-30H,5,21-23H2,1-4H3/t24?,28-,29-,30-/m0/s1
InChIKeyZZKXJYBLPUKLOX-WBUPHKQUSA-N
MW461.65 g/mol
LogP6.62
Rot. Bonds14

About (2R)-N-[(2R)-2-butan-2-yloxy-2-phenylethyl]-2-methoxy-N-[(2R)-2-methoxy-2-phenylethyl]-2-phenylethanamine

(2R)-N-[(2R)-2-butan-2-yloxy-2-phenylethyl]-2-methoxy-N-[(2R)-2-methoxy-2-phenylethyl]-2-phenylethanamine (PubChem CID 146564671) has the molecular formula C30H39NO3 and a molecular weight of 461.65 g/mol. Its IUPAC name is (2R)-N-[(2R)-2-butan-2-yloxy-2-phenylethyl]-2-methoxy-N-[(2R)-2-methoxy-2-phenylethyl]-2-phenylethanamine.

Molecular Properties

Compound Name(2R)-N-[(2R)-2-butan-2-yloxy-2-phenylethyl]-2-methoxy-N-[(2R)-2-methoxy-2-phenylethyl]-2-phenylethanamine
PubChem CID146564671
Molecular FormulaC30H39NO3
Molecular Weight461.65 g/mol
Exact Mass461.29
IUPAC Name(2R)-N-[(2R)-2-butan-2-yloxy-2-phenylethyl]-2-methoxy-N-[(2R)-2-methoxy-2-phenylethyl]-2-phenylethanamine
SMILESCCC(C)O[C@@H](CN(C[C@H](OC)c1ccccc1)C[C@H](OC)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H39NO3/c1-5-24(2)34-30(27-19-13-8-14-20-27)23-31(21-28(32-3)25-15-9-6-10-16-25)22-29(33-4)26-17-11-7-12-18-26/h6-20,24,28-30H,5,21-23H2,1-4H3/t24?,28-,29-,30-/m0/s1
InChIKeyZZKXJYBLPUKLOX-WBUPHKQUSA-N
XLogP6.62
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.65
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[(2R)-2-butan-2-yloxy-2-phenylethyl]-2-methoxy-N-[(2R)-2-methoxy-2-phenylethyl]-2-phenylethanamine 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

N-(2-methoxy-2-phenylethyl)-N-propylpropan-1-amine
CID 3057528
2-butan-2-yloxy-N-ethyl-2-phenylethanamine
CID 62108738
(2-iodo-1-pentan-2-yloxyethyl)benzene
CID 102984475
[butan-2-yloxy(ethoxy)methyl]benzene
CID 139725310
N-[(2S)-2-methoxy-2-phenylethyl]-N-methylprop-1-en-2-amine
CID 156874668
benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280
(2R)-2-methoxy-2-phenylethanol
CID 6950345
[(1S)-2-ethoxy-1-methoxyethyl]benzene
CID 155459528
1-(1-phenylpropoxy)ethanethiol
CID 126486623
1,2-bis(2-methoxy-2-phenylethyl)benzene
CID 90884874
[(1R)-2-[[(2R)-2-(2-iodoacetyl)oxy-2-phenylethyl]-[(2S)-2-(2-iodoacetyl)oxy-2-phenylethyl]amino]-1-phenylethyl] 2-iodoacetate
CID 88589185
1,2-dimethoxyethylbenzene;(1,2-dimethoxy-2-phenylethyl)benzene;1,2-dimethoxypropane
CID 159991566

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-2-butan-2-yloxy-2-phenylethyl]-2-methoxy-N-[(2R)-2-methoxy-2-phenylethyl]-2-phenylethanamine?
The IUPAC name of (2R)-N-[(2R)-2-butan-2-yloxy-2-phenylethyl]-2-methoxy-N-[(2R)-2-methoxy-2-phenylethyl]-2-phenylethanamine (CID 146564671) is (2R)-N-[(2R)-2-butan-2-yloxy-2-phenylethyl]-2-methoxy-N-[(2R)-2-methoxy-2-phenylethyl]-2-phenylethanamine.
What is the SMILES notation for (2R)-N-[(2R)-2-butan-2-yloxy-2-phenylethyl]-2-methoxy-N-[(2R)-2-methoxy-2-phenylethyl]-2-phenylethanamine?
The canonical SMILES for (2R)-N-[(2R)-2-butan-2-yloxy-2-phenylethyl]-2-methoxy-N-[(2R)-2-methoxy-2-phenylethyl]-2-phenylethanamine is CCC(C)O[C@@H](CN(C[C@H](OC)c1ccccc1)C[C@H](OC)c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N-[(2R)-2-butan-2-yloxy-2-phenylethyl]-2-methoxy-N-[(2R)-2-methoxy-2-phenylethyl]-2-phenylethanamine?
The InChIKey is ZZKXJYBLPUKLOX-WBUPHKQUSA-N. The full InChI is InChI=1S/C30H39NO3/c1-5-24(2)34-30(27-19-13-8-14-20-27)23-31(21-28(32-3)25-15-9-6-10-16-25)22-29(33-4)26-17-11-7-12-18-26/h6-20,24,28-30H,5,21-23H2,1-4H3/t24?,28-,29-,30-/m0/s1.
What are the key properties of (2R)-N-[(2R)-2-butan-2-yloxy-2-phenylethyl]-2-methoxy-N-[(2R)-2-methoxy-2-phenylethyl]-2-phenylethanamine?
(2R)-N-[(2R)-2-butan-2-yloxy-2-phenylethyl]-2-methoxy-N-[(2R)-2-methoxy-2-phenylethyl]-2-phenylethanamine has a molecular weight of 461.65 g/mol, XLogP of 6.62, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-2-butan-2-yloxy-2-phenylethyl]-2-methoxy-N-[(2R)-2-methoxy-2-phenylethyl]-2-phenylethanamine is sourced from PubChem (CID 146564671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).