2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]butan-1-ol

C15H23NO2 — CID 79334057

IUPAC2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]butan-1-ol
SMILESCCC(=Cc1ccc(OCCN(C)C)cc1)CO
InChIInChI=1S/C15H23NO2/c1-4-13(12-17)11-14-5-7-15(8-6-14)18-10-9-16(2)3/h5-8,11,17H,4,9-10,12H2,1-3H3
InChIKeyHNVZBZHRSOEJTH-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.41
Rot. Bonds7

About 2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]butan-1-ol

2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]butan-1-ol (PubChem CID 79334057) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]butan-1-ol.

Molecular Properties

Compound Name2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]butan-1-ol
PubChem CID79334057
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]butan-1-ol
SMILESCCC(=Cc1ccc(OCCN(C)C)cc1)CO
InChIInChI=1S/C15H23NO2/c1-4-13(12-17)11-14-5-7-15(8-6-14)18-10-9-16(2)3/h5-8,11,17H,4,9-10,12H2,1-3H3
InChIKeyHNVZBZHRSOEJTH-UHFFFAOYSA-N
XLogP2.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(NE)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]hydroxylamine
CID 14425923
N,N-dimethyl-2-[4-[2-(4-nitrophenyl)but-1-enyl]phenoxy]ethanamine
CID 155387299
3-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79340088
1-[2-(chloromethyl)but-1-enyl]-4-pentoxybenzene
CID 79334916
(E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-2-ol
CID 113360091
2-[4-[2-(dimethylamino)ethoxy]phenyl]ethanol
CID 83390498
2-[4-(3-chloroprop-1-enyl)phenoxy]-N,N-dimethylethanamine
CID 79334607
2-[(4-ethoxyphenyl)methylidene]butan-1-amine
CID 79322388
3-[4-[3-(dimethylamino)propoxy]phenyl]-2-fluoroprop-2-enoic acid
CID 67567650
4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-enamide
CID 170798811
N,N-dimethyl-2-[4-[(E)-2-nitroethenyl]phenoxy]ethanamine
CID 55017611
(E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-1-amine
CID 63968014

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]butan-1-ol?
The IUPAC name of 2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]butan-1-ol (CID 79334057) is 2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]butan-1-ol.
What is the SMILES notation for 2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]butan-1-ol?
The canonical SMILES for 2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]butan-1-ol is CCC(=Cc1ccc(OCCN(C)C)cc1)CO.
What is the InChIKey of 2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]butan-1-ol?
The InChIKey is HNVZBZHRSOEJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-13(12-17)11-14-5-7-15(8-6-14)18-10-9-16(2)3/h5-8,11,17H,4,9-10,12H2,1-3H3.
What are the key properties of 2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]butan-1-ol?
2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]butan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]butan-1-ol is sourced from PubChem (CID 79334057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).