1-(1-adamantyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine

C22H33NO2 — CID 4717148

IUPAC1-(1-adamantyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine
SMILESCCOc1ccc(CNC(C)C23CC4CC(CC(C4)C2)C3)cc1OC
InChIInChI=1S/C22H33NO2/c1-4-25-20-6-5-16(10-21(20)24-3)14-23-15(2)22-11-17-7-18(12-22)9-19(8-17)13-22/h5-6,10,15,17-19,23H,4,7-9,11-14H2,1-3H3
InChIKeyDDHLGWJQGGGODY-UHFFFAOYSA-N
MW343.51 g/mol
LogP4.79
Rot. Bonds7

About 1-(1-adamantyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine

1-(1-adamantyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine (PubChem CID 4717148) has the molecular formula C22H33NO2 and a molecular weight of 343.51 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine
PubChem CID4717148
Molecular FormulaC22H33NO2
Molecular Weight343.51 g/mol
Exact Mass343.25
IUPAC Name1-(1-adamantyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine
SMILESCCOc1ccc(CNC(C)C23CC4CC(CC(C4)C2)C3)cc1OC
InChIInChI=1S/C22H33NO2/c1-4-25-20-6-5-16(10-21(20)24-3)14-23-15(2)22-11-17-7-18(12-22)9-19(8-17)13-22/h5-6,10,15,17-19,23H,4,7-9,11-14H2,1-3H3
InChIKeyDDHLGWJQGGGODY-UHFFFAOYSA-N
XLogP4.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-adamantyl)-N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]ethanamine
CID 19615238
(1R)-1-(1-adamantyl)-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine
CID 40722253
1-(1-adamantyl)-N-[(3-chloro-4-ethoxyphenyl)methyl]ethanamine
CID 17156992
(1R)-1-(1-adamantyl)-N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine
CID 27279630
(1S)-1-(1-adamantyl)-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 27209609
(1S)-1-(1-adamantyl)-N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]ethanamine
CID 40721628
2-[4-[[[(1R)-1-(1-adamantyl)ethyl]amino]methyl]-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 42562976
(1S)-1-(1-adamantyl)-N-[(3-chloro-4,5-diethoxyphenyl)methyl]ethanamine
CID 27279243
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpentan-2-amine
CID 61463346
1-(1-adamantyl)-N-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]ethanamine
CID 4715787
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-methylpropanamide
CID 75494674
1-cyclopropyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-2-amine
CID 63988275

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(1-adamantyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine (CID 4717148) is 1-(1-adamantyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(1-adamantyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(1-adamantyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine is CCOc1ccc(CNC(C)C23CC4CC(CC(C4)C2)C3)cc1OC.
What is the InChIKey of 1-(1-adamantyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine?
The InChIKey is DDHLGWJQGGGODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO2/c1-4-25-20-6-5-16(10-21(20)24-3)14-23-15(2)22-11-17-7-18(12-22)9-19(8-17)13-22/h5-6,10,15,17-19,23H,4,7-9,11-14H2,1-3H3.
What are the key properties of 1-(1-adamantyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine?
1-(1-adamantyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine has a molecular weight of 343.51 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 4717148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).