N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine

C21H23NO — CID 60590175

IUPACN-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
SMILESCCOc1ccc(CNC(C)c2cccc3ccccc23)cc1
InChIInChI=1S/C21H23NO/c1-3-23-19-13-11-17(12-14-19)15-22-16(2)20-10-6-8-18-7-4-5-9-21(18)20/h4-14,16,22H,3,15H2,1-2H3
InChIKeyAQJWBFAXIUTVJI-UHFFFAOYSA-N
MW305.42 g/mol
LogP5.09
Rot. Bonds6

About N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine

N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine (PubChem CID 60590175) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
PubChem CID60590175
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC NameN-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
SMILESCCOc1ccc(CNC(C)c2cccc3ccccc23)cc1
InChIInChI=1S/C21H23NO/c1-3-23-19-13-11-17(12-14-19)15-22-16(2)20-10-6-8-18-7-4-5-9-21(18)20/h4-14,16,22H,3,15H2,1-2H3
InChIKeyAQJWBFAXIUTVJI-UHFFFAOYSA-N
XLogP5.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.42
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[[4-(ethoxymethoxy)phenyl]methyl]-1-naphthalen-1-ylethanamine
CID 97258214
N-[(4-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine
CID 43178671
(1R)-N-[(4-ethoxy-3-methylphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 25197103
(1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine
CID 927372
N-(4-ethoxyphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397488
(1R)-1-naphthalen-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 70834221
1-(2,6-difluorophenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 60945185
1-naphthalen-1-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62759136
(1S)-N-[(4-ethoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364175
1-(4-ethoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657836
1-(2-fluorophenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 60659012
(1R)-1-naphthalen-1-yl-N-[[3-(2-phenylethynyl)phenyl]methyl]ethanamine
CID 59562831

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine (CID 60590175) is N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine is CCOc1ccc(CNC(C)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine?
The InChIKey is AQJWBFAXIUTVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-3-23-19-13-11-17(12-14-19)15-22-16(2)20-10-6-8-18-7-4-5-9-21(18)20/h4-14,16,22H,3,15H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine?
N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine has a molecular weight of 305.42 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 60590175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).