[4-[2-(diethylamino)ethoxy]-2-ethylphenyl]-phenylmethanol

C21H29NO2 — CID 150907151

IUPAC[4-[2-(diethylamino)ethoxy]-2-ethylphenyl]-phenylmethanol
SMILESCCc1cc(OCCN(CC)CC)ccc1C(O)c1ccccc1
InChIInChI=1S/C21H29NO2/c1-4-17-16-19(24-15-14-22(5-2)6-3)12-13-20(17)21(23)18-10-8-7-9-11-18/h7-13,16,21,23H,4-6,14-15H2,1-3H3
InChIKeyLBFJLBQBGLLEIV-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.05
Rot. Bonds9

About [4-[2-(diethylamino)ethoxy]-2-ethylphenyl]-phenylmethanol

[4-[2-(diethylamino)ethoxy]-2-ethylphenyl]-phenylmethanol (PubChem CID 150907151) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is [4-[2-(diethylamino)ethoxy]-2-ethylphenyl]-phenylmethanol.

Molecular Properties

Compound Name[4-[2-(diethylamino)ethoxy]-2-ethylphenyl]-phenylmethanol
PubChem CID150907151
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name[4-[2-(diethylamino)ethoxy]-2-ethylphenyl]-phenylmethanol
SMILESCCc1cc(OCCN(CC)CC)ccc1C(O)c1ccccc1
InChIInChI=1S/C21H29NO2/c1-4-17-16-19(24-15-14-22(5-2)6-3)12-13-20(17)21(23)18-10-8-7-9-11-18/h7-13,16,21,23H,4-6,14-15H2,1-3H3
InChIKeyLBFJLBQBGLLEIV-UHFFFAOYSA-N
XLogP4.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(diethylamino)ethoxy]-2-ethylbenzoic acid
CID 69431703
2-[4-[1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylbut-3-enyl]phenoxy]-N,N-diethylethanamine
CID 24967269
2-[ethyl(2-naphthalen-2-yloxyethyl)amino]acetic acid
CID 61011595
(2R)-2-[[4-[2-(diethylamino)ethoxy]benzoyl]amino]-2-phenylacetic acid
CID 119367704
1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-phenylphenyl)ethanol
CID 175517595
(1S)-1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-ol
CID 78930393
(1S)-1-[2-bromo-4-[2-(diethylamino)ethoxy]phenyl]ethanamine
CID 114069423
[2-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol
CID 23553243
1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylpropan-1-one
CID 155387268
N,N-diethyl-2-(2-phenylquinolin-7-yl)oxyethanamine
CID 154372459
N,N-diethyl-4-naphthalen-2-yloxybutan-1-amine
CID 5333118
bis[2-(diethylamino)ethyl] 2,3-diphenylbutanedioate
CID 3060795

Frequently Asked Questions

What is the IUPAC name of [4-[2-(diethylamino)ethoxy]-2-ethylphenyl]-phenylmethanol?
The IUPAC name of [4-[2-(diethylamino)ethoxy]-2-ethylphenyl]-phenylmethanol (CID 150907151) is [4-[2-(diethylamino)ethoxy]-2-ethylphenyl]-phenylmethanol.
What is the SMILES notation for [4-[2-(diethylamino)ethoxy]-2-ethylphenyl]-phenylmethanol?
The canonical SMILES for [4-[2-(diethylamino)ethoxy]-2-ethylphenyl]-phenylmethanol is CCc1cc(OCCN(CC)CC)ccc1C(O)c1ccccc1.
What is the InChIKey of [4-[2-(diethylamino)ethoxy]-2-ethylphenyl]-phenylmethanol?
The InChIKey is LBFJLBQBGLLEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-4-17-16-19(24-15-14-22(5-2)6-3)12-13-20(17)21(23)18-10-8-7-9-11-18/h7-13,16,21,23H,4-6,14-15H2,1-3H3.
What are the key properties of [4-[2-(diethylamino)ethoxy]-2-ethylphenyl]-phenylmethanol?
[4-[2-(diethylamino)ethoxy]-2-ethylphenyl]-phenylmethanol has a molecular weight of 327.47 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(diethylamino)ethoxy]-2-ethylphenyl]-phenylmethanol is sourced from PubChem (CID 150907151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).