2,5-dimethyl-4-(3-methylpentan-2-ylamino)phenol

C14H23NO — CID 106954007

IUPAC2,5-dimethyl-4-(3-methylpentan-2-ylamino)phenol
SMILESCCC(C)C(C)Nc1cc(C)c(O)cc1C
InChIInChI=1S/C14H23NO/c1-6-9(2)12(5)15-13-7-11(4)14(16)8-10(13)3/h7-9,12,15-16H,6H2,1-5H3
InChIKeyFZEMDUWFTFBCQO-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.86
Rot. Bonds4

About 2,5-dimethyl-4-(3-methylpentan-2-ylamino)phenol

2,5-dimethyl-4-(3-methylpentan-2-ylamino)phenol (PubChem CID 106954007) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2,5-dimethyl-4-(3-methylpentan-2-ylamino)phenol.

Molecular Properties

Compound Name2,5-dimethyl-4-(3-methylpentan-2-ylamino)phenol
PubChem CID106954007
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2,5-dimethyl-4-(3-methylpentan-2-ylamino)phenol
SMILESCCC(C)C(C)Nc1cc(C)c(O)cc1C
InChIInChI=1S/C14H23NO/c1-6-9(2)12(5)15-13-7-11(4)14(16)8-10(13)3/h7-9,12,15-16H,6H2,1-5H3
InChIKeyFZEMDUWFTFBCQO-UHFFFAOYSA-N
XLogP3.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1,1-difluoropropan-2-ylamino)-2,5-dimethylphenol
CID 106953882
4-(1-aminopropan-2-ylamino)-2,5-dimethylphenol
CID 106954059
4-[(4-methoxy-4-methylpentan-2-yl)amino]-2,5-dimethylphenol
CID 106953814
2,5-dichloro-4-methyl-N-(3-methylpentan-2-yl)aniline
CID 104726239
4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol
CID 106953620
2-methyl-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)aniline
CID 66478753
2,5-dimethyl-4-[1-(4-methylphenyl)ethylamino]phenol
CID 106953903
4-[1-(2-fluorophenyl)propylamino]-2,5-dimethylphenol
CID 106953694
2,4,5-trifluoro-N-(3-methylpentan-2-yl)aniline
CID 62814836
4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2,5-dimethylphenol
CID 106953585
4-[1-(5-bromothiophen-2-yl)ethylamino]-2,5-dimethylphenol
CID 106953509
2,6-dichloro-4-(3-methylpentan-2-ylamino)phenol
CID 107679023

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(3-methylpentan-2-ylamino)phenol?
The IUPAC name of 2,5-dimethyl-4-(3-methylpentan-2-ylamino)phenol (CID 106954007) is 2,5-dimethyl-4-(3-methylpentan-2-ylamino)phenol.
What is the SMILES notation for 2,5-dimethyl-4-(3-methylpentan-2-ylamino)phenol?
The canonical SMILES for 2,5-dimethyl-4-(3-methylpentan-2-ylamino)phenol is CCC(C)C(C)Nc1cc(C)c(O)cc1C.
What is the InChIKey of 2,5-dimethyl-4-(3-methylpentan-2-ylamino)phenol?
The InChIKey is FZEMDUWFTFBCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-6-9(2)12(5)15-13-7-11(4)14(16)8-10(13)3/h7-9,12,15-16H,6H2,1-5H3.
What are the key properties of 2,5-dimethyl-4-(3-methylpentan-2-ylamino)phenol?
2,5-dimethyl-4-(3-methylpentan-2-ylamino)phenol has a molecular weight of 221.34 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(3-methylpentan-2-ylamino)phenol is sourced from PubChem (CID 106954007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).