(1S)-1-[4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol

C15H25NO — CID 63372612

IUPAC(1S)-1-[4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol
SMILESCC(N(C)c1ccc([C@H](C)O)cc1)C(C)(C)C
InChIInChI=1S/C15H25NO/c1-11(17)13-7-9-14(10-8-13)16(6)12(2)15(3,4)5/h7-12,17H,1-6H3/t11-,12?/m0/s1
InChIKeyYJFPXARMQAPOMM-PXYINDEMSA-N
MW235.37 g/mol
LogP3.61
Rot. Bonds3

About (1S)-1-[4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol

(1S)-1-[4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol (PubChem CID 63372612) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (1S)-1-[4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol
PubChem CID63372612
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(1S)-1-[4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol
SMILESCC(N(C)c1ccc([C@H](C)O)cc1)C(C)(C)C
InChIInChI=1S/C15H25NO/c1-11(17)13-7-9-14(10-8-13)16(6)12(2)15(3,4)5/h7-12,17H,1-6H3/t11-,12?/m0/s1
InChIKeyYJFPXARMQAPOMM-PXYINDEMSA-N
XLogP3.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol?
The IUPAC name of (1S)-1-[4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol (CID 63372612) is (1S)-1-[4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol is CC(N(C)c1ccc([C@H](C)O)cc1)C(C)(C)C.
What is the InChIKey of (1S)-1-[4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol?
The InChIKey is YJFPXARMQAPOMM-PXYINDEMSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(17)13-7-9-14(10-8-13)16(6)12(2)15(3,4)5/h7-12,17H,1-6H3/t11-,12?/m0/s1.
What are the key properties of (1S)-1-[4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol?
(1S)-1-[4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol has a molecular weight of 235.37 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol is sourced from PubChem (CID 63372612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).