(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropan-1-amine

C26H37NO2 — CID 7076934

IUPAC(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropan-1-amine
SMILESCCN(CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1
InChIInChI=1S/C26H37NO2/c1-5-27(20-21-11-13-24(28-4)14-12-21)17-15-25(22-9-7-6-8-10-22)23-16-18-29-26(2,3)19-23/h6-14,23,25H,5,15-20H2,1-4H3/t23-,25+/m1/s1
InChIKeyYKCUWIVBCFMJNZ-NOZRDPDXSA-N
MW395.59 g/mol
LogP5.90
Rot. Bonds9

About (3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropan-1-amine

(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropan-1-amine (PubChem CID 7076934) has the molecular formula C26H37NO2 and a molecular weight of 395.59 g/mol. Its IUPAC name is (3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropan-1-amine
PubChem CID7076934
Molecular FormulaC26H37NO2
Molecular Weight395.59 g/mol
Exact Mass395.28
IUPAC Name(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropan-1-amine
SMILESCCN(CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1
InChIInChI=1S/C26H37NO2/c1-5-27(20-21-11-13-24(28-4)14-12-21)17-15-25(22-9-7-6-8-10-22)23-16-18-29-26(2,3)19-23/h6-14,23,25H,5,15-20H2,1-4H3/t23-,25+/m1/s1
InChIKeyYKCUWIVBCFMJNZ-NOZRDPDXSA-N
XLogP5.90
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

[(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-[(4-methoxyphenyl)methyl]azanium
CID 7077030
(3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-N-[(4-methoxyphenyl)methyl]-3-phenylpropan-1-amine
CID 7077029
6-(2,2-dimethyloxan-4-yl)-3-[(4-methoxyphenyl)methyl]-6-phenylhexan-1-amine
CID 67812474
(3S)-N-benzyl-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methoxyphenyl)propan-1-amine
CID 7078963
(3R)-N-benzyl-3-[(4S)-2,2-dimethyloxan-4-yl]-3-(4-methoxyphenyl)propan-1-amine
CID 7078961
N-[[4-(dimethylamino)phenyl]methyl]-N-[(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methoxyphenyl)propyl]acetamide
CID 1147460
N-benzyl-N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]acetamide
CID 2877801
N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-1-(4-methoxyphenyl)methanimine
CID 7364115
[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-(4-methoxyphenyl)propyl]-[(4-methoxyphenyl)methyl]azanium
CID 7076927
N-[(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(2-methoxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1119799
3-(2,2-dimethyloxan-4-yl)-3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 52993436
(3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine
CID 7076924

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropan-1-amine?
The IUPAC name of (3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropan-1-amine (CID 7076934) is (3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropan-1-amine.
What is the SMILES notation for (3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropan-1-amine?
The canonical SMILES for (3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropan-1-amine is CCN(CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1.
What is the InChIKey of (3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropan-1-amine?
The InChIKey is YKCUWIVBCFMJNZ-NOZRDPDXSA-N. The full InChI is InChI=1S/C26H37NO2/c1-5-27(20-21-11-13-24(28-4)14-12-21)17-15-25(22-9-7-6-8-10-22)23-16-18-29-26(2,3)19-23/h6-14,23,25H,5,15-20H2,1-4H3/t23-,25+/m1/s1.
What are the key properties of (3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropan-1-amine?
(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropan-1-amine has a molecular weight of 395.59 g/mol, XLogP of 5.90, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropan-1-amine is sourced from PubChem (CID 7076934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).