N-[(2-ethoxynaphthalen-1-yl)methyl]-4-ethylaniline

C21H23NO — CID 126125026

IUPACN-[(2-ethoxynaphthalen-1-yl)methyl]-4-ethylaniline
SMILESCCOc1ccc2ccccc2c1CNc1ccc(CC)cc1
InChIInChI=1S/C21H23NO/c1-3-16-9-12-18(13-10-16)22-15-20-19-8-6-5-7-17(19)11-14-21(20)23-4-2/h5-14,22H,3-4,15H2,1-2H3
InChIKeyNRYWBXGGQFIJKN-UHFFFAOYSA-N
MW305.42 g/mol
LogP5.41
Rot. Bonds6

About N-[(2-ethoxynaphthalen-1-yl)methyl]-4-ethylaniline

N-[(2-ethoxynaphthalen-1-yl)methyl]-4-ethylaniline (PubChem CID 126125026) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[(2-ethoxynaphthalen-1-yl)methyl]-4-ethylaniline.

Molecular Properties

Compound NameN-[(2-ethoxynaphthalen-1-yl)methyl]-4-ethylaniline
PubChem CID126125026
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC NameN-[(2-ethoxynaphthalen-1-yl)methyl]-4-ethylaniline
SMILESCCOc1ccc2ccccc2c1CNc1ccc(CC)cc1
InChIInChI=1S/C21H23NO/c1-3-16-9-12-18(13-10-16)22-15-20-19-8-6-5-7-17(19)11-14-21(20)23-4-2/h5-14,22H,3-4,15H2,1-2H3
InChIKeyNRYWBXGGQFIJKN-UHFFFAOYSA-N
XLogP5.41
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 ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-N-[(2-ethoxynaphthalen-1-yl)methyl]aniline
CID 126115732
N-[(2-ethoxynaphthalen-1-yl)methyl]-4-phenoxyaniline
CID 126118729
N-[(2-ethoxynaphthalen-1-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332522
1-benzyl-2-ethoxynaphthalene
CID 12064074
N'-[(2-ethoxynaphthalen-1-yl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215613
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-phenoxyaniline
CID 126119075
N-[(2-ethoxynaphthalen-1-yl)methyl]octan-1-amine
CID 4722807
N-[(2-ethoxynaphthalen-1-yl)methyl]-1-(furan-2-yl)methanamine
CID 4723209
3-[(2-ethoxynaphthalen-1-yl)methylamino]propanoic acid
CID 102536565
4-[(2-ethoxynaphthalen-1-yl)methylamino]-4-oxobutanoate
CID 9151494
N-[(2-ethoxynaphthalen-1-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 17209000
N-[(3-chloro-4,5-diethoxyphenyl)methyl]-4-ethylaniline
CID 126127441

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxynaphthalen-1-yl)methyl]-4-ethylaniline?
The IUPAC name of N-[(2-ethoxynaphthalen-1-yl)methyl]-4-ethylaniline (CID 126125026) is N-[(2-ethoxynaphthalen-1-yl)methyl]-4-ethylaniline.
What is the SMILES notation for N-[(2-ethoxynaphthalen-1-yl)methyl]-4-ethylaniline?
The canonical SMILES for N-[(2-ethoxynaphthalen-1-yl)methyl]-4-ethylaniline is CCOc1ccc2ccccc2c1CNc1ccc(CC)cc1.
What is the InChIKey of N-[(2-ethoxynaphthalen-1-yl)methyl]-4-ethylaniline?
The InChIKey is NRYWBXGGQFIJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-3-16-9-12-18(13-10-16)22-15-20-19-8-6-5-7-17(19)11-14-21(20)23-4-2/h5-14,22H,3-4,15H2,1-2H3.
What are the key properties of N-[(2-ethoxynaphthalen-1-yl)methyl]-4-ethylaniline?
N-[(2-ethoxynaphthalen-1-yl)methyl]-4-ethylaniline has a molecular weight of 305.42 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxynaphthalen-1-yl)methyl]-4-ethylaniline is sourced from PubChem (CID 126125026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).