4-[[(4-ethoxy-3-methoxyphenyl)methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine

C24H34N2O3 — CID 75494224

IUPAC4-[[(4-ethoxy-3-methoxyphenyl)methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine
SMILESCCOc1ccc(CNCC2(NC(C)c3ccccc3)CCOCC2)cc1OC
InChIInChI=1S/C24H34N2O3/c1-4-29-22-11-10-20(16-23(22)27-3)17-25-18-24(12-14-28-15-13-24)26-19(2)21-8-6-5-7-9-21/h5-11,16,19,25-26H,4,12-15,17-18H2,1-3H3
InChIKeyFIMOFHKWOPUHSO-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.08
Rot. Bonds10

About 4-[[(4-ethoxy-3-methoxyphenyl)methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine

4-[[(4-ethoxy-3-methoxyphenyl)methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine (PubChem CID 75494224) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is 4-[[(4-ethoxy-3-methoxyphenyl)methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine.

Molecular Properties

Compound Name4-[[(4-ethoxy-3-methoxyphenyl)methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine
PubChem CID75494224
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name4-[[(4-ethoxy-3-methoxyphenyl)methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine
SMILESCCOc1ccc(CNCC2(NC(C)c3ccccc3)CCOCC2)cc1OC
InChIInChI=1S/C24H34N2O3/c1-4-29-22-11-10-20(16-23(22)27-3)17-25-18-24(12-14-28-15-13-24)26-19(2)21-8-6-5-7-9-21/h5-11,16,19,25-26H,4,12-15,17-18H2,1-3H3
InChIKeyFIMOFHKWOPUHSO-UHFFFAOYSA-N
XLogP4.08
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-phenylethyl)-1-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]cyclopentan-1-amine
CID 75494220
4-(aminomethyl)-N-[(1S)-1-phenylethyl]oxan-4-amine
CID 95241594
1-[1-[[(3-ethoxy-4-methoxyphenyl)methylamino]methyl]cyclopropyl]-2-methylpropan-1-ol
CID 75445674
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 4721212
1-(4-ethoxy-3-methoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528549
4-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine
CID 75494222
N'-[(4-ethoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine
CID 60887964
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 17295735
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3160557
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,2-dimethoxyethanamine
CID 60657358
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylpropan-1-amine
CID 22026275
4-[[(3-butoxy-4-methoxyphenyl)methylamino]methyl]oxan-4-ol
CID 119114989

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-ethoxy-3-methoxyphenyl)methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine?
The IUPAC name of 4-[[(4-ethoxy-3-methoxyphenyl)methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine (CID 75494224) is 4-[[(4-ethoxy-3-methoxyphenyl)methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine.
What is the SMILES notation for 4-[[(4-ethoxy-3-methoxyphenyl)methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine?
The canonical SMILES for 4-[[(4-ethoxy-3-methoxyphenyl)methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine is CCOc1ccc(CNCC2(NC(C)c3ccccc3)CCOCC2)cc1OC.
What is the InChIKey of 4-[[(4-ethoxy-3-methoxyphenyl)methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine?
The InChIKey is FIMOFHKWOPUHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-4-29-22-11-10-20(16-23(22)27-3)17-25-18-24(12-14-28-15-13-24)26-19(2)21-8-6-5-7-9-21/h5-11,16,19,25-26H,4,12-15,17-18H2,1-3H3.
What are the key properties of 4-[[(4-ethoxy-3-methoxyphenyl)methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine?
4-[[(4-ethoxy-3-methoxyphenyl)methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine has a molecular weight of 398.55 g/mol, XLogP of 4.08, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-ethoxy-3-methoxyphenyl)methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine is sourced from PubChem (CID 75494224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).