4-methoxy-N-[[3-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline

C25H23NO2 — CID 126124121

IUPAC4-methoxy-N-[[3-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline
SMILESCOc1ccc(NCc2cccc(OCc3cccc4ccccc34)c2)cc1
InChIInChI=1S/C25H23NO2/c1-27-23-14-12-22(13-15-23)26-17-19-6-4-10-24(16-19)28-18-21-9-5-8-20-7-2-3-11-25(20)21/h2-16,26H,17-18H2,1H3
InChIKeyNFBZGSVALQEKRY-UHFFFAOYSA-N
MW369.46 g/mol
LogP6.04
Rot. Bonds7

About 4-methoxy-N-[[3-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline

4-methoxy-N-[[3-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline (PubChem CID 126124121) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 4-methoxy-N-[[3-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[[3-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline
PubChem CID126124121
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name4-methoxy-N-[[3-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline
SMILESCOc1ccc(NCc2cccc(OCc3cccc4ccccc34)c2)cc1
InChIInChI=1S/C25H23NO2/c1-27-23-14-12-22(13-15-23)26-17-19-6-4-10-24(16-19)28-18-21-9-5-8-20-7-2-3-11-25(20)21/h2-16,26H,17-18H2,1H3
InChIKeyNFBZGSVALQEKRY-UHFFFAOYSA-N
XLogP6.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801333
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126127256
4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline
CID 126128104
N-[(4-methoxyphenyl)methyl]-6-phenylmethoxynaphthalen-2-amine
CID 25139545
N-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-4-ethoxyaniline
CID 126116410
N-[(3-methoxyphenyl)methyl]-4-methylaniline
CID 23255337
4-chloro-N-[[3-chloro-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline
CID 126183393
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
4-(2-methoxyethoxy)-N-[(3-methoxyphenyl)methyl]aniline
CID 43734134
N-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-4-methylaniline
CID 126118689
N-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 54799583
4-chloro-N-[(3-methoxyphenyl)methyl]aniline
CID 4681221

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[3-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline?
The IUPAC name of 4-methoxy-N-[[3-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline (CID 126124121) is 4-methoxy-N-[[3-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline.
What is the SMILES notation for 4-methoxy-N-[[3-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline?
The canonical SMILES for 4-methoxy-N-[[3-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline is COc1ccc(NCc2cccc(OCc3cccc4ccccc34)c2)cc1.
What is the InChIKey of 4-methoxy-N-[[3-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline?
The InChIKey is NFBZGSVALQEKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c1-27-23-14-12-22(13-15-23)26-17-19-6-4-10-24(16-19)28-18-21-9-5-8-20-7-2-3-11-25(20)21/h2-16,26H,17-18H2,1H3.
What are the key properties of 4-methoxy-N-[[3-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline?
4-methoxy-N-[[3-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline has a molecular weight of 369.46 g/mol, XLogP of 6.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[3-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 126124121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).