(1S)-1-[2-[ethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-ol

C15H25NO2 — CID 103959999

IUPAC(1S)-1-[2-[ethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N(CC)C(C)COC
InChIInChI=1S/C15H25NO2/c1-5-15(17)13-9-7-8-10-14(13)16(6-2)12(3)11-18-4/h7-10,12,15,17H,5-6,11H2,1-4H3/t12?,15-/m0/s1
InChIKeyGSKHJZXITRFINA-CVRLYYSRSA-N
MW251.37 g/mol
LogP2.99
Rot. Bonds7

About (1S)-1-[2-[ethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-ol

(1S)-1-[2-[ethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-ol (PubChem CID 103959999) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (1S)-1-[2-[ethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-[ethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-ol
PubChem CID103959999
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(1S)-1-[2-[ethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N(CC)C(C)COC
InChIInChI=1S/C15H25NO2/c1-5-15(17)13-9-7-8-10-14(13)16(6-2)12(3)11-18-4/h7-10,12,15,17H,5-6,11H2,1-4H3/t12?,15-/m0/s1
InChIKeyGSKHJZXITRFINA-CVRLYYSRSA-N
XLogP2.99
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[ethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-[ethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-ol (CID 103959999) is (1S)-1-[2-[ethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-[ethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-[ethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-ol is CC[C@H](O)c1ccccc1N(CC)C(C)COC.
What is the InChIKey of (1S)-1-[2-[ethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-ol?
The InChIKey is GSKHJZXITRFINA-CVRLYYSRSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-15(17)13-9-7-8-10-14(13)16(6-2)12(3)11-18-4/h7-10,12,15,17H,5-6,11H2,1-4H3/t12?,15-/m0/s1.
What are the key properties of (1S)-1-[2-[ethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-ol?
(1S)-1-[2-[ethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[ethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 103959999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).