(1R)-N-[[4-(ethoxymethoxy)phenyl]methyl]-1-naphthalen-1-ylethanamine

C22H25NO2 — CID 97258214

IUPAC(1R)-N-[[4-(ethoxymethoxy)phenyl]methyl]-1-naphthalen-1-ylethanamine
SMILESCCOCOc1ccc(CN[C@H](C)c2cccc3ccccc23)cc1
InChIInChI=1S/C22H25NO2/c1-3-24-16-25-20-13-11-18(12-14-20)15-23-17(2)21-10-6-8-19-7-4-5-9-22(19)21/h4-14,17,23H,3,15-16H2,1-2H3/t17-/m1/s1
InChIKeyJIPMGMVUQDQLPY-QGZVFWFLSA-N
MW335.45 g/mol
LogP5.06
Rot. Bonds8

About (1R)-N-[[4-(ethoxymethoxy)phenyl]methyl]-1-naphthalen-1-ylethanamine

(1R)-N-[[4-(ethoxymethoxy)phenyl]methyl]-1-naphthalen-1-ylethanamine (PubChem CID 97258214) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (1R)-N-[[4-(ethoxymethoxy)phenyl]methyl]-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[[4-(ethoxymethoxy)phenyl]methyl]-1-naphthalen-1-ylethanamine
PubChem CID97258214
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name(1R)-N-[[4-(ethoxymethoxy)phenyl]methyl]-1-naphthalen-1-ylethanamine
SMILESCCOCOc1ccc(CN[C@H](C)c2cccc3ccccc23)cc1
InChIInChI=1S/C22H25NO2/c1-3-24-16-25-20-13-11-18(12-14-20)15-23-17(2)21-10-6-8-19-7-4-5-9-22(19)21/h4-14,17,23H,3,15-16H2,1-2H3/t17-/m1/s1
InChIKeyJIPMGMVUQDQLPY-QGZVFWFLSA-N
XLogP5.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 60590175
N-[(4-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine
CID 43178671
(1R)-N-[(4-ethoxy-3-methylphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 25197103
(1R)-1-naphthalen-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 70834221
(1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine
CID 927372
N-(4-ethoxyphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397488
1-naphthalen-1-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62759136
1-(2,6-difluorophenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 60945185
(1R)-1-naphthalen-1-yl-N-[[3-(2-phenylethynyl)phenyl]methyl]ethanamine
CID 59562831
1-(2-fluorophenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 60659012
N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-1-ylethanamine
CID 21087531
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(1-naphthalen-1-ylethylamino)acetamide
CID 112800999

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[4-(ethoxymethoxy)phenyl]methyl]-1-naphthalen-1-ylethanamine?
The IUPAC name of (1R)-N-[[4-(ethoxymethoxy)phenyl]methyl]-1-naphthalen-1-ylethanamine (CID 97258214) is (1R)-N-[[4-(ethoxymethoxy)phenyl]methyl]-1-naphthalen-1-ylethanamine.
What is the SMILES notation for (1R)-N-[[4-(ethoxymethoxy)phenyl]methyl]-1-naphthalen-1-ylethanamine?
The canonical SMILES for (1R)-N-[[4-(ethoxymethoxy)phenyl]methyl]-1-naphthalen-1-ylethanamine is CCOCOc1ccc(CN[C@H](C)c2cccc3ccccc23)cc1.
What is the InChIKey of (1R)-N-[[4-(ethoxymethoxy)phenyl]methyl]-1-naphthalen-1-ylethanamine?
The InChIKey is JIPMGMVUQDQLPY-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25NO2/c1-3-24-16-25-20-13-11-18(12-14-20)15-23-17(2)21-10-6-8-19-7-4-5-9-22(19)21/h4-14,17,23H,3,15-16H2,1-2H3/t17-/m1/s1.
What are the key properties of (1R)-N-[[4-(ethoxymethoxy)phenyl]methyl]-1-naphthalen-1-ylethanamine?
(1R)-N-[[4-(ethoxymethoxy)phenyl]methyl]-1-naphthalen-1-ylethanamine has a molecular weight of 335.45 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[4-(ethoxymethoxy)phenyl]methyl]-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 97258214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).