(1R)-1-(1-adamantyl)-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine

C24H35NO2 — CID 40722253

IUPAC(1R)-1-(1-adamantyl)-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine
SMILESC=CCOc1ccc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1OCC
InChIInChI=1S/C24H35NO2/c1-4-8-27-22-7-6-18(12-23(22)26-5-2)16-25-17(3)24-13-19-9-20(14-24)11-21(10-19)15-24/h4,6-7,12,17,19-21,25H,1,5,8-11,13-16H2,2-3H3/t17-,19?,20?,21?,24?/m1/s1
InChIKeyMYBKFKSDOHXHQB-TVGZPFHWSA-N
MW369.55 g/mol
LogP5.34
Rot. Bonds9

About (1R)-1-(1-adamantyl)-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine

(1R)-1-(1-adamantyl)-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine (PubChem CID 40722253) has the molecular formula C24H35NO2 and a molecular weight of 369.55 g/mol. Its IUPAC name is (1R)-1-(1-adamantyl)-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(1-adamantyl)-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine
PubChem CID40722253
Molecular FormulaC24H35NO2
Molecular Weight369.55 g/mol
Exact Mass369.27
IUPAC Name(1R)-1-(1-adamantyl)-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine
SMILESC=CCOc1ccc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1OCC
InChIInChI=1S/C24H35NO2/c1-4-8-27-22-7-6-18(12-23(22)26-5-2)16-25-17(3)24-13-19-9-20(14-24)11-21(10-19)15-24/h4,6-7,12,17,19-21,25H,1,5,8-11,13-16H2,2-3H3/t17-,19?,20?,21?,24?/m1/s1
InChIKeyMYBKFKSDOHXHQB-TVGZPFHWSA-N
XLogP5.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R)-1-(1-adamantyl)-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine 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-(1-adamantyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine
CID 4717148
(1R)-1-(1-adamantyl)-N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine
CID 27279630
1-(1-adamantyl)-N-[(3-chloro-4-ethoxyphenyl)methyl]ethanamine
CID 17156992
1-(1-adamantyl)-N-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]ethanamine
CID 4715787
(1S)-1-(1-adamantyl)-N-[(3-chloro-4,5-diethoxyphenyl)methyl]ethanamine
CID 27279243
1-(1-adamantyl)-N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]ethanamine
CID 19615238
(2S)-2-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]butan-1-ol
CID 7993249
(2R)-1-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]propan-2-ol
CID 7991496
(1S)-1-(1-adamantyl)-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 27209609
N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156010
N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]butan-1-amine;hydrochloride
CID 2959787
4-ethoxy-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]aniline
CID 126126146

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-adamantyl)-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(1-adamantyl)-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine (CID 40722253) is (1R)-1-(1-adamantyl)-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(1-adamantyl)-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(1-adamantyl)-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine is C=CCOc1ccc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1OCC.
What is the InChIKey of (1R)-1-(1-adamantyl)-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine?
The InChIKey is MYBKFKSDOHXHQB-TVGZPFHWSA-N. The full InChI is InChI=1S/C24H35NO2/c1-4-8-27-22-7-6-18(12-23(22)26-5-2)16-25-17(3)24-13-19-9-20(14-24)11-21(10-19)15-24/h4,6-7,12,17,19-21,25H,1,5,8-11,13-16H2,2-3H3/t17-,19?,20?,21?,24?/m1/s1.
What are the key properties of (1R)-1-(1-adamantyl)-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine?
(1R)-1-(1-adamantyl)-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine has a molecular weight of 369.55 g/mol, XLogP of 5.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-adamantyl)-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 40722253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).