2-[[7-[(2-aminophenoxy)methyl]naphthalen-2-yl]methoxy]aniline

C24H22N2O2 — CID 139627675

IUPAC2-[[7-[(2-aminophenoxy)methyl]naphthalen-2-yl]methoxy]aniline
SMILESNc1ccccc1OCc1ccc2ccc(COc3ccccc3N)cc2c1
InChIInChI=1S/C24H22N2O2/c25-21-5-1-3-7-23(21)27-15-17-9-11-19-12-10-18(14-20(19)13-17)16-28-24-8-4-2-6-22(24)26/h1-14H,15-16,25-26H2
InChIKeyPFTWIOKOPSVSFP-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.16
Rot. Bonds6

About 2-[[7-[(2-aminophenoxy)methyl]naphthalen-2-yl]methoxy]aniline

2-[[7-[(2-aminophenoxy)methyl]naphthalen-2-yl]methoxy]aniline (PubChem CID 139627675) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[[7-[(2-aminophenoxy)methyl]naphthalen-2-yl]methoxy]aniline.

Molecular Properties

Compound Name2-[[7-[(2-aminophenoxy)methyl]naphthalen-2-yl]methoxy]aniline
PubChem CID139627675
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name2-[[7-[(2-aminophenoxy)methyl]naphthalen-2-yl]methoxy]aniline
SMILESNc1ccccc1OCc1ccc2ccc(COc3ccccc3N)cc2c1
InChIInChI=1S/C24H22N2O2/c25-21-5-1-3-7-23(21)27-15-17-9-11-19-12-10-18(14-20(19)13-17)16-28-24-8-4-2-6-22(24)26/h1-14H,15-16,25-26H2
InChIKeyPFTWIOKOPSVSFP-UHFFFAOYSA-N
XLogP5.16
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(3-chloro-4-fluorophenyl)methoxy]aniline
CID 103037655
1-(naphthalen-2-ylmethoxy)naphthalene
CID 132511538
2-(1,3-benzodioxol-5-ylmethoxy)aniline
CID 11791381
2-[(3-chloro-4-methoxyphenyl)methoxy]aniline
CID 82133516
2-[(2-chloro-4-pyridinyl)methoxy]aniline
CID 62469846
2-(pyridin-4-ylmethoxy)aniline
CID 16788077
2-[(3-nitrophenyl)methoxy]aniline
CID 55032299
2-[[4-(2-chloroethoxy)phenyl]methoxy]aniline
CID 11460105
CID 174310277
CID 174310277
2-[2-(naphthalen-2-ylmethoxy)phenyl]-2-oxoacetic acid
CID 19004454
2-[(3-amino-4-fluorophenyl)methoxy]phenol
CID 105492351
[5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methanol
CID 45371588

Frequently Asked Questions

What is the IUPAC name of 2-[[7-[(2-aminophenoxy)methyl]naphthalen-2-yl]methoxy]aniline?
The IUPAC name of 2-[[7-[(2-aminophenoxy)methyl]naphthalen-2-yl]methoxy]aniline (CID 139627675) is 2-[[7-[(2-aminophenoxy)methyl]naphthalen-2-yl]methoxy]aniline.
What is the SMILES notation for 2-[[7-[(2-aminophenoxy)methyl]naphthalen-2-yl]methoxy]aniline?
The canonical SMILES for 2-[[7-[(2-aminophenoxy)methyl]naphthalen-2-yl]methoxy]aniline is Nc1ccccc1OCc1ccc2ccc(COc3ccccc3N)cc2c1.
What is the InChIKey of 2-[[7-[(2-aminophenoxy)methyl]naphthalen-2-yl]methoxy]aniline?
The InChIKey is PFTWIOKOPSVSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c25-21-5-1-3-7-23(21)27-15-17-9-11-19-12-10-18(14-20(19)13-17)16-28-24-8-4-2-6-22(24)26/h1-14H,15-16,25-26H2.
What are the key properties of 2-[[7-[(2-aminophenoxy)methyl]naphthalen-2-yl]methoxy]aniline?
2-[[7-[(2-aminophenoxy)methyl]naphthalen-2-yl]methoxy]aniline has a molecular weight of 370.45 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[(2-aminophenoxy)methyl]naphthalen-2-yl]methoxy]aniline is sourced from PubChem (CID 139627675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).