(E)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine

C23H29NO2 — CID 119108221

IUPAC(E)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine
SMILESCOc1ccc(C2(CNC/C(C)=C/c3ccccc3)CCOCC2)cc1
InChIInChI=1S/C23H29NO2/c1-19(16-20-6-4-3-5-7-20)17-24-18-23(12-14-26-15-13-23)21-8-10-22(25-2)11-9-21/h3-11,16,24H,12-15,17-18H2,1-2H3/b19-16+
InChIKeyCXXBOCUVMISCOE-KNTRCKAVSA-N
MW351.49 g/mol
LogP4.44
Rot. Bonds7

About (E)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine

(E)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine (PubChem CID 119108221) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is (E)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine
PubChem CID119108221
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name(E)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine
SMILESCOc1ccc(C2(CNC/C(C)=C/c3ccccc3)CCOCC2)cc1
InChIInChI=1S/C23H29NO2/c1-19(16-20-6-4-3-5-7-20)17-24-18-23(12-14-26-15-13-23)21-8-10-22(25-2)11-9-21/h3-11,16,24H,12-15,17-18H2,1-2H3/b19-16+
InChIKeyCXXBOCUVMISCOE-KNTRCKAVSA-N
XLogP4.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (E)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine with MolForge

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Related Compounds

1-[[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]methyl]cyclobutan-1-ol
CID 109396186
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 27448950
[(3S)-3-(4-methoxyphenyl)oxolan-3-yl]methanol
CID 168870342
3-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-phenylpropanamide
CID 119749994
2-ethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448887
2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide
CID 133228915
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 60578416
1-(2-fluorophenyl)-3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]urea
CID 47071711
(Z)-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenylprop-2-en-1-amine
CID 119108239
N'-(2-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide
CID 7647050
1-(1H-imidazol-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]methanamine
CID 119111600
6-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45168168

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine?
The IUPAC name of (E)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine (CID 119108221) is (E)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine?
The canonical SMILES for (E)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine is COc1ccc(C2(CNC/C(C)=C/c3ccccc3)CCOCC2)cc1.
What is the InChIKey of (E)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine?
The InChIKey is CXXBOCUVMISCOE-KNTRCKAVSA-N. The full InChI is InChI=1S/C23H29NO2/c1-19(16-20-6-4-3-5-7-20)17-24-18-23(12-14-26-15-13-23)21-8-10-22(25-2)11-9-21/h3-11,16,24H,12-15,17-18H2,1-2H3/b19-16+.
What are the key properties of (E)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine?
(E)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine has a molecular weight of 351.49 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 119108221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).