4-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-ol

C16H27NO2 — CID 43504128

IUPAC4-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-ol
SMILESCCN(CC)CCOc1ccc(CCC(C)O)cc1
InChIInChI=1S/C16H27NO2/c1-4-17(5-2)12-13-19-16-10-8-15(9-11-16)7-6-14(3)18/h8-11,14,18H,4-7,12-13H2,1-3H3
InChIKeyJHALXGNMKYXUOJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.72
Rot. Bonds9

About 4-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-ol

4-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-ol (PubChem CID 43504128) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-ol.

Molecular Properties

Compound Name4-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-ol
PubChem CID43504128
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-ol
SMILESCCN(CC)CCOc1ccc(CCC(C)O)cc1
InChIInChI=1S/C16H27NO2/c1-4-17(5-2)12-13-19-16-10-8-15(9-11-16)7-6-14(3)18/h8-11,14,18H,4-7,12-13H2,1-3H3
InChIKeyJHALXGNMKYXUOJ-UHFFFAOYSA-N
XLogP2.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-(4-butoxyphenyl)butan-2-ol
CID 93086996
4-[4-(2-hydroxyethoxy)phenyl]butan-2-ol
CID 43504158
2-[4-[2-(diethylamino)ethoxy]phenyl]ethanamine
CID 10752321
4-[4-(2-butoxyethoxy)phenyl]butan-2-ol
CID 61483224
1-[4-[2-(diethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine
CID 3079535
4-[4-(4-decoxyphenyl)phenyl]butan-2-ol
CID 18927874
4-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-ol
CID 112689131
4-[4-(2-ethylbutoxy)phenyl]butan-2-ol
CID 82928939
4-(4-pent-4-ynoxyphenyl)butan-2-ol
CID 113343854
2-[4-[2-(diethylamino)ethoxy]phenyl]acetaldehyde
CID 86033023
4-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylbutan-2-amine;dihydrochloride
CID 19885274
2-[4-[(E)-3-[4-[2-(diethylamino)ethoxy]phenyl]but-2-en-2-yl]phenoxy]-N,N-diethylethanamine
CID 3038049

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-ol?
The IUPAC name of 4-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-ol (CID 43504128) is 4-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-ol.
What is the SMILES notation for 4-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-ol?
The canonical SMILES for 4-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-ol is CCN(CC)CCOc1ccc(CCC(C)O)cc1.
What is the InChIKey of 4-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-ol?
The InChIKey is JHALXGNMKYXUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-17(5-2)12-13-19-16-10-8-15(9-11-16)7-6-14(3)18/h8-11,14,18H,4-7,12-13H2,1-3H3.
What are the key properties of 4-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-ol?
4-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-ol is sourced from PubChem (CID 43504128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).