4-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]phenol

C18H21NO — CID 43742644

IUPAC4-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]phenol
SMILESCC1(C)CCC(Nc2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C18H21NO/c1-18(2)12-11-17(15-5-3-4-6-16(15)18)19-13-7-9-14(20)10-8-13/h3-10,17,19-20H,11-12H2,1-2H3
InChIKeyQCSSHUDCROXCHA-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.62
Rot. Bonds2

About 4-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]phenol

4-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]phenol (PubChem CID 43742644) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]phenol.

Molecular Properties

Compound Name4-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]phenol
PubChem CID43742644
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name4-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]phenol
SMILESCC1(C)CCC(Nc2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C18H21NO/c1-18(2)12-11-17(15-5-3-4-6-16(15)18)19-13-7-9-14(20)10-8-13/h3-10,17,19-20H,11-12H2,1-2H3
InChIKeyQCSSHUDCROXCHA-UHFFFAOYSA-N
XLogP4.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]phenol?
The IUPAC name of 4-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]phenol (CID 43742644) is 4-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]phenol.
What is the SMILES notation for 4-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]phenol?
The canonical SMILES for 4-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]phenol is CC1(C)CCC(Nc2ccc(O)cc2)c2ccccc21.
What is the InChIKey of 4-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]phenol?
The InChIKey is QCSSHUDCROXCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-18(2)12-11-17(15-5-3-4-6-16(15)18)19-13-7-9-14(20)10-8-13/h3-10,17,19-20H,11-12H2,1-2H3.
What are the key properties of 4-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]phenol?
4-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]phenol has a molecular weight of 267.37 g/mol, XLogP of 4.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)amino]phenol is sourced from PubChem (CID 43742644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).