2-[4-(2,3,3-trimethylbutylamino)phenyl]ethanol

C15H25NO — CID 114270501

IUPAC2-[4-(2,3,3-trimethylbutylamino)phenyl]ethanol
SMILESCC(CNc1ccc(CCO)cc1)C(C)(C)C
InChIInChI=1S/C15H25NO/c1-12(15(2,3)4)11-16-14-7-5-13(6-8-14)9-10-17/h5-8,12,16-17H,9-11H2,1-4H3
InChIKeyKOPXZDCXMBZRQH-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.32
Rot. Bonds5

About 2-[4-(2,3,3-trimethylbutylamino)phenyl]ethanol

2-[4-(2,3,3-trimethylbutylamino)phenyl]ethanol (PubChem CID 114270501) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[4-(2,3,3-trimethylbutylamino)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(2,3,3-trimethylbutylamino)phenyl]ethanol
PubChem CID114270501
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-[4-(2,3,3-trimethylbutylamino)phenyl]ethanol
SMILESCC(CNc1ccc(CCO)cc1)C(C)(C)C
InChIInChI=1S/C15H25NO/c1-12(15(2,3)4)11-16-14-7-5-13(6-8-14)9-10-17/h5-8,12,16-17H,9-11H2,1-4H3
InChIKeyKOPXZDCXMBZRQH-UHFFFAOYSA-N
XLogP3.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-methylbutylamino)phenyl]ethanol
CID 61238762
1-(4-propylanilino)propan-2-ol
CID 60884974
2-[4-[(4-bromophenyl)methylamino]phenyl]ethanol
CID 61238413
N-methyl-4-(2,3,3-trimethylbutylamino)benzenesulfonamide
CID 83144551
2-[4-(2-hydroxyethyl)anilino]propanoic acid
CID 66174351
5-[4-(2-hydroxyethyl)anilino]pentan-1-ol
CID 83962274
2-[4-(pentan-2-ylamino)phenyl]ethanol
CID 61237126
2-[4-(pentadecylamino)phenyl]ethanol
CID 20525862
3-amino-4-(4-octylanilino)butan-1-ol
CID 45256386
3-(ethylamino)-N-[4-(2-hydroxyethyl)phenyl]-2-methylpropanamide
CID 62838562
N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905
N-[[4-(2-aminoethyl)phenyl]methyl]-2,3,3-trimethylbutan-1-amine
CID 83143292

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3,3-trimethylbutylamino)phenyl]ethanol?
The IUPAC name of 2-[4-(2,3,3-trimethylbutylamino)phenyl]ethanol (CID 114270501) is 2-[4-(2,3,3-trimethylbutylamino)phenyl]ethanol.
What is the SMILES notation for 2-[4-(2,3,3-trimethylbutylamino)phenyl]ethanol?
The canonical SMILES for 2-[4-(2,3,3-trimethylbutylamino)phenyl]ethanol is CC(CNc1ccc(CCO)cc1)C(C)(C)C.
What is the InChIKey of 2-[4-(2,3,3-trimethylbutylamino)phenyl]ethanol?
The InChIKey is KOPXZDCXMBZRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(15(2,3)4)11-16-14-7-5-13(6-8-14)9-10-17/h5-8,12,16-17H,9-11H2,1-4H3.
What are the key properties of 2-[4-(2,3,3-trimethylbutylamino)phenyl]ethanol?
2-[4-(2,3,3-trimethylbutylamino)phenyl]ethanol has a molecular weight of 235.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3,3-trimethylbutylamino)phenyl]ethanol is sourced from PubChem (CID 114270501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).