N-ethyl-5,5,8,8-tetramethyl-N-(2-nitrophenyl)-6,7-dihydronaphthalen-2-amine

C22H28N2O2 — CID 10713006

IUPACN-ethyl-5,5,8,8-tetramethyl-N-(2-nitrophenyl)-6,7-dihydronaphthalen-2-amine
SMILESCCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C22H28N2O2/c1-6-23(19-9-7-8-10-20(19)24(25)26)16-11-12-17-18(15-16)22(4,5)14-13-21(17,2)3/h7-12,15H,6,13-14H2,1-5H3
InChIKeyPMEYPHODLYDMEE-UHFFFAOYSA-N
MW352.48 g/mol
LogP6.10
Rot. Bonds4

About N-ethyl-5,5,8,8-tetramethyl-N-(2-nitrophenyl)-6,7-dihydronaphthalen-2-amine

N-ethyl-5,5,8,8-tetramethyl-N-(2-nitrophenyl)-6,7-dihydronaphthalen-2-amine (PubChem CID 10713006) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-ethyl-5,5,8,8-tetramethyl-N-(2-nitrophenyl)-6,7-dihydronaphthalen-2-amine.

Molecular Properties

Compound NameN-ethyl-5,5,8,8-tetramethyl-N-(2-nitrophenyl)-6,7-dihydronaphthalen-2-amine
PubChem CID10713006
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-ethyl-5,5,8,8-tetramethyl-N-(2-nitrophenyl)-6,7-dihydronaphthalen-2-amine
SMILESCCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C22H28N2O2/c1-6-23(19-9-7-8-10-20(19)24(25)26)16-11-12-17-18(15-16)22(4,5)14-13-21(17,2)3/h7-12,15H,6,13-14H2,1-5H3
InChIKeyPMEYPHODLYDMEE-UHFFFAOYSA-N
XLogP6.10
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,1,4,4-tetramethyl-6-(2-nitrophenoxy)-2,3-dihydronaphthalene
CID 10616047
5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735917
(E)-3-[4-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]phenyl]prop-2-enoic acid
CID 52933743
5,5,8,8-tetramethyl-N-(2-phenylphenyl)-N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 170222776
4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline
CID 171735947
5,5,8,8-tetramethyl-N-phenyl-N-[4-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735963
3-(N-ethylanilino)-4-nitrobenzoic acid
CID 82769870
4-[propyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoic acid
CID 10690215
N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735973
methyl 5-[ethyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyrazine-2-carboxylate
CID 118343112
5,5,8,8-tetramethyl-N-(3-methylphenyl)-N-phenyl-6,7-dihydronaphthalen-2-amine
CID 142500873
N-ethyl-3-fluoro-N-(2-fluorophenyl)-5-nitroaniline
CID 80751737

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,5,8,8-tetramethyl-N-(2-nitrophenyl)-6,7-dihydronaphthalen-2-amine?
The IUPAC name of N-ethyl-5,5,8,8-tetramethyl-N-(2-nitrophenyl)-6,7-dihydronaphthalen-2-amine (CID 10713006) is N-ethyl-5,5,8,8-tetramethyl-N-(2-nitrophenyl)-6,7-dihydronaphthalen-2-amine.
What is the SMILES notation for N-ethyl-5,5,8,8-tetramethyl-N-(2-nitrophenyl)-6,7-dihydronaphthalen-2-amine?
The canonical SMILES for N-ethyl-5,5,8,8-tetramethyl-N-(2-nitrophenyl)-6,7-dihydronaphthalen-2-amine is CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-ethyl-5,5,8,8-tetramethyl-N-(2-nitrophenyl)-6,7-dihydronaphthalen-2-amine?
The InChIKey is PMEYPHODLYDMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-6-23(19-9-7-8-10-20(19)24(25)26)16-11-12-17-18(15-16)22(4,5)14-13-21(17,2)3/h7-12,15H,6,13-14H2,1-5H3.
What are the key properties of N-ethyl-5,5,8,8-tetramethyl-N-(2-nitrophenyl)-6,7-dihydronaphthalen-2-amine?
N-ethyl-5,5,8,8-tetramethyl-N-(2-nitrophenyl)-6,7-dihydronaphthalen-2-amine has a molecular weight of 352.48 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,5,8,8-tetramethyl-N-(2-nitrophenyl)-6,7-dihydronaphthalen-2-amine is sourced from PubChem (CID 10713006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).