(1R)-1-[2-[methyl(pentan-3-yl)amino]phenyl]ethanol

C14H23NO — CID 78939770

IUPAC(1R)-1-[2-[methyl(pentan-3-yl)amino]phenyl]ethanol
SMILESCCC(CC)N(C)c1ccccc1[C@@H](C)O
InChIInChI=1S/C14H23NO/c1-5-12(6-2)15(4)14-10-8-7-9-13(14)11(3)16/h7-12,16H,5-6H2,1-4H3/t11-/m1/s1
InChIKeyVDYDYQXVFCHVTE-LLVKDONJSA-N
MW221.34 g/mol
LogP3.36
Rot. Bonds5

About (1R)-1-[2-[methyl(pentan-3-yl)amino]phenyl]ethanol

(1R)-1-[2-[methyl(pentan-3-yl)amino]phenyl]ethanol (PubChem CID 78939770) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (1R)-1-[2-[methyl(pentan-3-yl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[methyl(pentan-3-yl)amino]phenyl]ethanol
PubChem CID78939770
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(1R)-1-[2-[methyl(pentan-3-yl)amino]phenyl]ethanol
SMILESCCC(CC)N(C)c1ccccc1[C@@H](C)O
InChIInChI=1S/C14H23NO/c1-5-12(6-2)15(4)14-10-8-7-9-13(14)11(3)16/h7-12,16H,5-6H2,1-4H3/t11-/m1/s1
InChIKeyVDYDYQXVFCHVTE-LLVKDONJSA-N
XLogP3.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[methyl(pentan-3-yl)amino]phenyl]ethanol?
The IUPAC name of (1R)-1-[2-[methyl(pentan-3-yl)amino]phenyl]ethanol (CID 78939770) is (1R)-1-[2-[methyl(pentan-3-yl)amino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[methyl(pentan-3-yl)amino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[methyl(pentan-3-yl)amino]phenyl]ethanol is CCC(CC)N(C)c1ccccc1[C@@H](C)O.
What is the InChIKey of (1R)-1-[2-[methyl(pentan-3-yl)amino]phenyl]ethanol?
The InChIKey is VDYDYQXVFCHVTE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-12(6-2)15(4)14-10-8-7-9-13(14)11(3)16/h7-12,16H,5-6H2,1-4H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-[methyl(pentan-3-yl)amino]phenyl]ethanol?
(1R)-1-[2-[methyl(pentan-3-yl)amino]phenyl]ethanol has a molecular weight of 221.34 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[methyl(pentan-3-yl)amino]phenyl]ethanol is sourced from PubChem (CID 78939770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).