N-[[2-(2-phenylethoxy)phenyl]methyl]naphthalen-1-amine

C25H23NO — CID 54795991

IUPACN-[[2-(2-phenylethoxy)phenyl]methyl]naphthalen-1-amine
SMILESc1ccc(CCOc2ccccc2CNc2cccc3ccccc23)cc1
InChIInChI=1S/C25H23NO/c1-2-9-20(10-3-1)17-18-27-25-16-7-5-12-22(25)19-26-24-15-8-13-21-11-4-6-14-23(21)24/h1-16,26H,17-19H2
InChIKeyOTBKDNADWINFFK-UHFFFAOYSA-N
MW353.47 g/mol
LogP6.07
Rot. Bonds7

About N-[[2-(2-phenylethoxy)phenyl]methyl]naphthalen-1-amine

N-[[2-(2-phenylethoxy)phenyl]methyl]naphthalen-1-amine (PubChem CID 54795991) has the molecular formula C25H23NO and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[[2-(2-phenylethoxy)phenyl]methyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[[2-(2-phenylethoxy)phenyl]methyl]naphthalen-1-amine
PubChem CID54795991
Molecular FormulaC25H23NO
Molecular Weight353.47 g/mol
Exact Mass353.18
IUPAC NameN-[[2-(2-phenylethoxy)phenyl]methyl]naphthalen-1-amine
SMILESc1ccc(CCOc2ccccc2CNc2cccc3ccccc23)cc1
InChIInChI=1S/C25H23NO/c1-2-9-20(10-3-1)17-18-27-25-16-7-5-12-22(25)19-26-24-15-8-13-21-11-4-6-14-23(21)24/h1-16,26H,17-19H2
InChIKeyOTBKDNADWINFFK-UHFFFAOYSA-N
XLogP6.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-phenylethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801323
N-[[2-(2-methoxyethoxy)phenyl]methyl]naphthalen-1-amine
CID 54795963
1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine
CID 54797328
2-(3-phenylpropoxy)-N-[(2-propoxyphenyl)methyl]aniline
CID 54801329
2,4,6-trimethyl-N-[[2-(2-phenylethoxy)phenyl]methyl]aniline
CID 54796664
N-[[2-(2-phenylethoxy)phenyl]methyl]-4-phenylmethoxyaniline
CID 54799401
1-phenyl-2-[[2-(2-phenylethoxy)phenyl]methyl]hydrazine
CID 169385834
N-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(2-phenylethoxy)aniline
CID 54802511
1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 46736198
1-(4-methylphenyl)-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine
CID 54804431
N-methylmethanamine;1-(3-phenylpropoxy)naphthalene
CID 142048688
[[2-(2-phenylethoxy)phenyl]methylamino] 2-phenylacetate
CID 87890217

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-phenylethoxy)phenyl]methyl]naphthalen-1-amine?
The IUPAC name of N-[[2-(2-phenylethoxy)phenyl]methyl]naphthalen-1-amine (CID 54795991) is N-[[2-(2-phenylethoxy)phenyl]methyl]naphthalen-1-amine.
What is the SMILES notation for N-[[2-(2-phenylethoxy)phenyl]methyl]naphthalen-1-amine?
The canonical SMILES for N-[[2-(2-phenylethoxy)phenyl]methyl]naphthalen-1-amine is c1ccc(CCOc2ccccc2CNc2cccc3ccccc23)cc1.
What is the InChIKey of N-[[2-(2-phenylethoxy)phenyl]methyl]naphthalen-1-amine?
The InChIKey is OTBKDNADWINFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO/c1-2-9-20(10-3-1)17-18-27-25-16-7-5-12-22(25)19-26-24-15-8-13-21-11-4-6-14-23(21)24/h1-16,26H,17-19H2.
What are the key properties of N-[[2-(2-phenylethoxy)phenyl]methyl]naphthalen-1-amine?
N-[[2-(2-phenylethoxy)phenyl]methyl]naphthalen-1-amine has a molecular weight of 353.47 g/mol, XLogP of 6.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-phenylethoxy)phenyl]methyl]naphthalen-1-amine is sourced from PubChem (CID 54795991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).