(1S)-1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-ol

C15H25NO2 — CID 78930393

IUPAC(1S)-1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1OCCN(CC)CC
InChIInChI=1S/C15H25NO2/c1-4-14(17)13-9-7-8-10-15(13)18-12-11-16(5-2)6-3/h7-10,14,17H,4-6,11-12H2,1-3H3/t14-/m0/s1
InChIKeyXVRXJZBNYOCGSH-AWEZNQCLSA-N
MW251.37 g/mol
LogP2.85
Rot. Bonds8

About (1S)-1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-ol

(1S)-1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-ol (PubChem CID 78930393) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (1S)-1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-ol
PubChem CID78930393
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(1S)-1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1OCCN(CC)CC
InChIInChI=1S/C15H25NO2/c1-4-14(17)13-9-7-8-10-15(13)18-12-11-16(5-2)6-3/h7-10,14,17H,4-6,11-12H2,1-3H3/t14-/m0/s1
InChIKeyXVRXJZBNYOCGSH-AWEZNQCLSA-N
XLogP2.85
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(diethylamino)ethoxy]phenyl]-N-methylpropan-1-amine
CID 43279062
(1S)-1-(2-hexoxyphenyl)propan-1-ol
CID 78930140
1-(2-heptoxyphenyl)propan-1-ol
CID 43503487
(1S)-1-(2-heptoxyphenyl)propan-1-ol
CID 78944609
5-[2-[(1R)-1-hydroxypropyl]phenoxy]pentan-1-ol
CID 78931048
3-[2-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide
CID 54879106
(1S)-1-[2-(3,3,3-trifluoropropoxy)phenyl]propan-1-ol
CID 78996550
N,N-diethyl-3-(2-propan-2-ylphenoxy)propan-1-amine
CID 2263014
4-[2-[(2R)-butan-2-yl]phenoxy]-N,N-diethylbutan-1-amine
CID 2298137
(1S)-1-[2-(4-phenylbutoxy)phenyl]propan-1-ol
CID 104893874
1-(2-pent-3-ynoxyphenyl)propan-1-ol
CID 104808206
(1R)-1-[2-(3-ethylsulfonylpropoxy)phenyl]propan-1-ol
CID 65098384

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-ol (CID 78930393) is (1S)-1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-ol is CC[C@H](O)c1ccccc1OCCN(CC)CC.
What is the InChIKey of (1S)-1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-ol?
The InChIKey is XVRXJZBNYOCGSH-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-14(17)13-9-7-8-10-15(13)18-12-11-16(5-2)6-3/h7-10,14,17H,4-6,11-12H2,1-3H3/t14-/m0/s1.
What are the key properties of (1S)-1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-ol?
(1S)-1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-ol is sourced from PubChem (CID 78930393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).