5-[3-(diethylamino)phenoxy]-1,3-diethylnaphthalen-2-amine

C24H30N2O — CID 146451681

IUPAC5-[3-(diethylamino)phenoxy]-1,3-diethylnaphthalen-2-amine
SMILESCCc1cc2c(Oc3cccc(N(CC)CC)c3)cccc2c(CC)c1N
InChIInChI=1S/C24H30N2O/c1-5-17-15-22-21(20(6-2)24(17)25)13-10-14-23(22)27-19-12-9-11-18(16-19)26(7-3)8-4/h9-16H,5-8,25H2,1-4H3
InChIKeyRKXHWJOPPHZHJO-UHFFFAOYSA-N
MW362.52 g/mol
LogP6.19
Rot. Bonds7

About 5-[3-(diethylamino)phenoxy]-1,3-diethylnaphthalen-2-amine

5-[3-(diethylamino)phenoxy]-1,3-diethylnaphthalen-2-amine (PubChem CID 146451681) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 5-[3-(diethylamino)phenoxy]-1,3-diethylnaphthalen-2-amine.

Molecular Properties

Compound Name5-[3-(diethylamino)phenoxy]-1,3-diethylnaphthalen-2-amine
PubChem CID146451681
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name5-[3-(diethylamino)phenoxy]-1,3-diethylnaphthalen-2-amine
SMILESCCc1cc2c(Oc3cccc(N(CC)CC)c3)cccc2c(CC)c1N
InChIInChI=1S/C24H30N2O/c1-5-17-15-22-21(20(6-2)24(17)25)13-10-14-23(22)27-19-12-9-11-18(16-19)26(7-3)8-4/h9-16H,5-8,25H2,1-4H3
InChIKeyRKXHWJOPPHZHJO-UHFFFAOYSA-N
XLogP6.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-3-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxyaniline
CID 15808266
3-[3-[3-[3-[3-(3-aminophenoxy)phenoxy]-2-ethylphenoxy]-2-ethylphenoxy]phenoxy]aniline
CID 22338395
2-(3-ethylphenoxy)-6-fluoroaniline
CID 54920607
2-[2-[3-[2-(2-amino-6-ethylphenoxy)phenoxy]phenoxy]phenoxy]-3-ethylaniline
CID 22338530
3-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]-N,N-diethylaniline
CID 829194
ethyl 3-[3-(diethylamino)phenoxy]propanoate
CID 43517017
3-[2-(dimethylamino)ethoxy]-N,N-diethylaniline
CID 141318125
N,N-diethyl-3-(phenoxymethyl)aniline
CID 54126573
N,N-diethyl-3-[5-(4-methylphenyl)pyrimidin-2-yl]oxyaniline
CID 4138688
4-N,4-N,2-triethylbenzene-1,4-diamine;hydrochloride
CID 68622660
2-amino-3-[3-(dimethylamino)phenoxy]benzonitrile
CID 104717231
2-[3-(diethylamino)phenoxy]-3-methylbutanoic acid
CID 43517019

Frequently Asked Questions

What is the IUPAC name of 5-[3-(diethylamino)phenoxy]-1,3-diethylnaphthalen-2-amine?
The IUPAC name of 5-[3-(diethylamino)phenoxy]-1,3-diethylnaphthalen-2-amine (CID 146451681) is 5-[3-(diethylamino)phenoxy]-1,3-diethylnaphthalen-2-amine.
What is the SMILES notation for 5-[3-(diethylamino)phenoxy]-1,3-diethylnaphthalen-2-amine?
The canonical SMILES for 5-[3-(diethylamino)phenoxy]-1,3-diethylnaphthalen-2-amine is CCc1cc2c(Oc3cccc(N(CC)CC)c3)cccc2c(CC)c1N.
What is the InChIKey of 5-[3-(diethylamino)phenoxy]-1,3-diethylnaphthalen-2-amine?
The InChIKey is RKXHWJOPPHZHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-5-17-15-22-21(20(6-2)24(17)25)13-10-14-23(22)27-19-12-9-11-18(16-19)26(7-3)8-4/h9-16H,5-8,25H2,1-4H3.
What are the key properties of 5-[3-(diethylamino)phenoxy]-1,3-diethylnaphthalen-2-amine?
5-[3-(diethylamino)phenoxy]-1,3-diethylnaphthalen-2-amine has a molecular weight of 362.52 g/mol, XLogP of 6.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(diethylamino)phenoxy]-1,3-diethylnaphthalen-2-amine is sourced from PubChem (CID 146451681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).