hydroxy-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]phenyl]azanium

C20H27N2O+ — CID 142949513

IUPAChydroxy-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]phenyl]azanium
SMILESCC1(C)CCC(C)(C)c2cc(Nc3ccccc3[NH2+]O)ccc21
InChIInChI=1S/C20H26N2O/c1-19(2)11-12-20(3,4)16-13-14(9-10-15(16)19)21-17-7-5-6-8-18(17)22-23/h5-10,13,21-23H,11-12H2,1-4H3/p+1
InChIKeyNLWGLZLICIAKEC-UHFFFAOYSA-O
MW311.45 g/mol
LogP4.36
Rot. Bonds3

About hydroxy-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]phenyl]azanium

hydroxy-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]phenyl]azanium (PubChem CID 142949513) has the molecular formula C20H27N2O+ and a molecular weight of 311.45 g/mol. Its IUPAC name is hydroxy-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]phenyl]azanium.

Molecular Properties

Compound Namehydroxy-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]phenyl]azanium
PubChem CID142949513
Molecular FormulaC20H27N2O+
Molecular Weight311.45 g/mol
Exact Mass311.21
IUPAC Namehydroxy-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]phenyl]azanium
SMILESCC1(C)CCC(C)(C)c2cc(Nc3ccccc3[NH2+]O)ccc21
InChIInChI=1S/C20H26N2O/c1-19(2)11-12-20(3,4)16-13-14(9-10-15(16)19)21-17-7-5-6-8-18(17)22-23/h5-10,13,21-23H,11-12H2,1-4H3/p+1
InChIKeyNLWGLZLICIAKEC-UHFFFAOYSA-O
XLogP4.36
TPSA48.87 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,5,8,8-tetramethyl-N-naphthalen-1-yl-6,7-dihydronaphthalen-2-amine
CID 170774428
3,5,5,8,8-pentamethyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine
CID 155595920
5,5,8,8-tetramethyl-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydronaphthalen-2-amine
CID 174330207
N-(4-tert-butyl-2-methylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
CID 155595921
5,5,8,8-tetramethyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydrobenzo[f][1]benzothiol-3-amine
CID 155595926
1,1,3,3-tetramethyl-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2H-inden-5-amine
CID 154972054
9,9-dimethyl-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)fluoren-3-amine
CID 164550717
N-[4-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
CID 155595906
N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-amine
CID 169083278
5,5,8,8-tetramethyl-N,3-diphenyl-6,7-dihydronaphthalen-2-amine
CID 163300047
benzene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 173031980
N-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
CID 164931155

Frequently Asked Questions

What is the IUPAC name of hydroxy-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]phenyl]azanium?
The IUPAC name of hydroxy-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]phenyl]azanium (CID 142949513) is hydroxy-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]phenyl]azanium.
What is the SMILES notation for hydroxy-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]phenyl]azanium?
The canonical SMILES for hydroxy-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]phenyl]azanium is CC1(C)CCC(C)(C)c2cc(Nc3ccccc3[NH2+]O)ccc21.
What is the InChIKey of hydroxy-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]phenyl]azanium?
The InChIKey is NLWGLZLICIAKEC-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H26N2O/c1-19(2)11-12-20(3,4)16-13-14(9-10-15(16)19)21-17-7-5-6-8-18(17)22-23/h5-10,13,21-23H,11-12H2,1-4H3/p+1.
What are the key properties of hydroxy-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]phenyl]azanium?
hydroxy-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]phenyl]azanium has a molecular weight of 311.45 g/mol, XLogP of 4.36, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]phenyl]azanium is sourced from PubChem (CID 142949513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).