4-(N-amino-4-tert-butylanilino)phenol

C16H20N2O — CID 150725631

IUPAC4-(N-amino-4-tert-butylanilino)phenol
SMILESCC(C)(C)c1ccc(N(N)c2ccc(O)cc2)cc1
InChIInChI=1S/C16H20N2O/c1-16(2,3)12-4-6-13(7-5-12)18(17)14-8-10-15(19)11-9-14/h4-11,19H,17H2,1-3H3
InChIKeyJQTSFGLSECFPER-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.70
Rot. Bonds2

About 4-(N-amino-4-tert-butylanilino)phenol

4-(N-amino-4-tert-butylanilino)phenol (PubChem CID 150725631) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(N-amino-4-tert-butylanilino)phenol.

Molecular Properties

Compound Name4-(N-amino-4-tert-butylanilino)phenol
PubChem CID150725631
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-(N-amino-4-tert-butylanilino)phenol
SMILESCC(C)(C)c1ccc(N(N)c2ccc(O)cc2)cc1
InChIInChI=1S/C16H20N2O/c1-16(2,3)12-4-6-13(7-5-12)18(17)14-8-10-15(19)11-9-14/h4-11,19H,17H2,1-3H3
InChIKeyJQTSFGLSECFPER-UHFFFAOYSA-N
XLogP3.70
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butylphenol;cobalt
CID 174380967
bis(4-tert-butylphenol);zirconium
CID 87864994
4-tert-butylphenol;titanium
CID 20801499
4-tert-butylphenol;nickel
CID 162056786
4-[4-(4-tert-butylphenoxy)phenoxy]phenol
CID 143727417
3,5-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenol
CID 171750673
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
disodium bisphenol-A
CID 66941220
1-(4-hydroxyphenyl)ethane-1,1-diol
CID 137436479
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;silver
CID 118588949
4-[2-[4-(diethylamino)phenyl]propan-2-yl]phenol
CID 174631371
4-tert-butyl-N,N-bis(trimethyl-λ4-sulfanyl)aniline
CID 167209894

Frequently Asked Questions

What is the IUPAC name of 4-(N-amino-4-tert-butylanilino)phenol?
The IUPAC name of 4-(N-amino-4-tert-butylanilino)phenol (CID 150725631) is 4-(N-amino-4-tert-butylanilino)phenol.
What is the SMILES notation for 4-(N-amino-4-tert-butylanilino)phenol?
The canonical SMILES for 4-(N-amino-4-tert-butylanilino)phenol is CC(C)(C)c1ccc(N(N)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-(N-amino-4-tert-butylanilino)phenol?
The InChIKey is JQTSFGLSECFPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-16(2,3)12-4-6-13(7-5-12)18(17)14-8-10-15(19)11-9-14/h4-11,19H,17H2,1-3H3.
What are the key properties of 4-(N-amino-4-tert-butylanilino)phenol?
4-(N-amino-4-tert-butylanilino)phenol has a molecular weight of 256.35 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-amino-4-tert-butylanilino)phenol is sourced from PubChem (CID 150725631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).