(1R)-N-[(4-ethoxy-3-methylphenyl)methyl]-1-naphthalen-1-ylethanamine

C22H25NO — CID 25197103

IUPAC(1R)-N-[(4-ethoxy-3-methylphenyl)methyl]-1-naphthalen-1-ylethanamine
SMILESCCOc1ccc(CN[C@H](C)c2cccc3ccccc23)cc1C
InChIInChI=1S/C22H25NO/c1-4-24-22-13-12-18(14-16(22)2)15-23-17(3)20-11-7-9-19-8-5-6-10-21(19)20/h5-14,17,23H,4,15H2,1-3H3/t17-/m1/s1
InChIKeySTJFNTSTISWTJO-QGZVFWFLSA-N
MW319.45 g/mol
LogP5.40
Rot. Bonds6

About (1R)-N-[(4-ethoxy-3-methylphenyl)methyl]-1-naphthalen-1-ylethanamine

(1R)-N-[(4-ethoxy-3-methylphenyl)methyl]-1-naphthalen-1-ylethanamine (PubChem CID 25197103) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is (1R)-N-[(4-ethoxy-3-methylphenyl)methyl]-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(4-ethoxy-3-methylphenyl)methyl]-1-naphthalen-1-ylethanamine
PubChem CID25197103
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name(1R)-N-[(4-ethoxy-3-methylphenyl)methyl]-1-naphthalen-1-ylethanamine
SMILESCCOc1ccc(CN[C@H](C)c2cccc3ccccc23)cc1C
InChIInChI=1S/C22H25NO/c1-4-24-22-13-12-18(14-16(22)2)15-23-17(3)20-11-7-9-19-8-5-6-10-21(19)20/h5-14,17,23H,4,15H2,1-3H3/t17-/m1/s1
InChIKeySTJFNTSTISWTJO-QGZVFWFLSA-N
XLogP5.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 60590175
N-[(3-chloro-4-methoxyphenyl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride
CID 18357734
(1R)-N-[[4-(ethoxymethoxy)phenyl]methyl]-1-naphthalen-1-ylethanamine
CID 97258214
N-[(4-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine
CID 43178671
N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-1-ylethanamine
CID 21087531
(1S)-1-(2-chlorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 81376878
N-[(1-ethylindol-5-yl)methyl]-1-naphthalen-1-ylethanamine
CID 21087504
(1R)-1-naphthalen-1-yl-N-[[3-(2-phenylethynyl)phenyl]methyl]ethanamine
CID 59562831
2-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]propan-2-amine
CID 70834368
(1R)-1-naphthalen-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 70834221
1-naphthalen-1-yl-N-[(3-pyridin-2-ylphenyl)methyl]ethanamine
CID 22391282
1-naphthalen-1-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62759136

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-ethoxy-3-methylphenyl)methyl]-1-naphthalen-1-ylethanamine?
The IUPAC name of (1R)-N-[(4-ethoxy-3-methylphenyl)methyl]-1-naphthalen-1-ylethanamine (CID 25197103) is (1R)-N-[(4-ethoxy-3-methylphenyl)methyl]-1-naphthalen-1-ylethanamine.
What is the SMILES notation for (1R)-N-[(4-ethoxy-3-methylphenyl)methyl]-1-naphthalen-1-ylethanamine?
The canonical SMILES for (1R)-N-[(4-ethoxy-3-methylphenyl)methyl]-1-naphthalen-1-ylethanamine is CCOc1ccc(CN[C@H](C)c2cccc3ccccc23)cc1C.
What is the InChIKey of (1R)-N-[(4-ethoxy-3-methylphenyl)methyl]-1-naphthalen-1-ylethanamine?
The InChIKey is STJFNTSTISWTJO-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25NO/c1-4-24-22-13-12-18(14-16(22)2)15-23-17(3)20-11-7-9-19-8-5-6-10-21(19)20/h5-14,17,23H,4,15H2,1-3H3/t17-/m1/s1.
What are the key properties of (1R)-N-[(4-ethoxy-3-methylphenyl)methyl]-1-naphthalen-1-ylethanamine?
(1R)-N-[(4-ethoxy-3-methylphenyl)methyl]-1-naphthalen-1-ylethanamine has a molecular weight of 319.45 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4-ethoxy-3-methylphenyl)methyl]-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 25197103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).