4-[7-(4-amino-3-methylphenoxy)naphthalen-2-yl]oxy-2-methylaniline

C24H22N2O2 — CID 139654231

IUPAC4-[7-(4-amino-3-methylphenoxy)naphthalen-2-yl]oxy-2-methylaniline
SMILESCc1cc(Oc2ccc3ccc(Oc4ccc(N)c(C)c4)cc3c2)ccc1N
InChIInChI=1S/C24H22N2O2/c1-15-11-19(7-9-23(15)25)27-21-5-3-17-4-6-22(14-18(17)13-21)28-20-8-10-24(26)16(2)12-20/h3-14H,25-26H2,1-2H3
InChIKeyLLGXLBUKBZWXNS-UHFFFAOYSA-N
MW370.45 g/mol
LogP6.21
Rot. Bonds4

About 4-[7-(4-amino-3-methylphenoxy)naphthalen-2-yl]oxy-2-methylaniline

4-[7-(4-amino-3-methylphenoxy)naphthalen-2-yl]oxy-2-methylaniline (PubChem CID 139654231) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-[7-(4-amino-3-methylphenoxy)naphthalen-2-yl]oxy-2-methylaniline.

Molecular Properties

Compound Name4-[7-(4-amino-3-methylphenoxy)naphthalen-2-yl]oxy-2-methylaniline
PubChem CID139654231
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name4-[7-(4-amino-3-methylphenoxy)naphthalen-2-yl]oxy-2-methylaniline
SMILESCc1cc(Oc2ccc3ccc(Oc4ccc(N)c(C)c4)cc3c2)ccc1N
InChIInChI=1S/C24H22N2O2/c1-15-11-19(7-9-23(15)25)27-21-5-3-17-4-6-22(14-18(17)13-21)28-20-8-10-24(26)16(2)12-20/h3-14H,25-26H2,1-2H3
InChIKeyLLGXLBUKBZWXNS-UHFFFAOYSA-N
XLogP6.21
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 56.21
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

4-(6-bromonaphthalen-2-yl)oxy-2-methylaniline
CID 43436384
4-(4-amino-3-methylphenoxy)phenol
CID 150102226
4-(4-ethylphenoxy)-2-methylaniline
CID 26190351
4-(4-amino-3-methylphenoxy)-2-methylbenzonitrile
CID 81279568
4-naphthalen-2-yloxybenzene-1,2-diamine
CID 106748292
4-(4-amino-3-methylphenoxy)benzamide
CID 43381706
2-methyl-4-pyridin-3-yloxyaniline;hydrochloride
CID 156593409
4-(6-bromonaphthalen-2-yl)oxy-2-methoxyaniline
CID 63675945
4-(4-bromo-2-fluorophenoxy)-2-methylaniline
CID 43436412
2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)aniline
CID 26190303
methyl 2-amino-5-(3,4-dimethylphenoxy)benzoate
CID 63423501
4-(4-amino-3-methylphenoxy)pyridine-2-carbonitrile
CID 55156270

Frequently Asked Questions

What is the IUPAC name of 4-[7-(4-amino-3-methylphenoxy)naphthalen-2-yl]oxy-2-methylaniline?
The IUPAC name of 4-[7-(4-amino-3-methylphenoxy)naphthalen-2-yl]oxy-2-methylaniline (CID 139654231) is 4-[7-(4-amino-3-methylphenoxy)naphthalen-2-yl]oxy-2-methylaniline.
What is the SMILES notation for 4-[7-(4-amino-3-methylphenoxy)naphthalen-2-yl]oxy-2-methylaniline?
The canonical SMILES for 4-[7-(4-amino-3-methylphenoxy)naphthalen-2-yl]oxy-2-methylaniline is Cc1cc(Oc2ccc3ccc(Oc4ccc(N)c(C)c4)cc3c2)ccc1N.
What is the InChIKey of 4-[7-(4-amino-3-methylphenoxy)naphthalen-2-yl]oxy-2-methylaniline?
The InChIKey is LLGXLBUKBZWXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-15-11-19(7-9-23(15)25)27-21-5-3-17-4-6-22(14-18(17)13-21)28-20-8-10-24(26)16(2)12-20/h3-14H,25-26H2,1-2H3.
What are the key properties of 4-[7-(4-amino-3-methylphenoxy)naphthalen-2-yl]oxy-2-methylaniline?
4-[7-(4-amino-3-methylphenoxy)naphthalen-2-yl]oxy-2-methylaniline has a molecular weight of 370.45 g/mol, XLogP of 6.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(4-amino-3-methylphenoxy)naphthalen-2-yl]oxy-2-methylaniline is sourced from PubChem (CID 139654231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).