N,N-dimethyl-2-[4-(4-phenylbut-1-enyl)phenoxy]ethanamine

C20H25NO — CID 173386567

IUPACN,N-dimethyl-2-[4-(4-phenylbut-1-enyl)phenoxy]ethanamine
SMILESCN(C)CCOc1ccc(C=CCCc2ccccc2)cc1
InChIInChI=1S/C20H25NO/c1-21(2)16-17-22-20-14-12-19(13-15-20)11-7-6-10-18-8-4-3-5-9-18/h3-5,7-9,11-15H,6,10,16-17H2,1-2H3
InChIKeyZTUXIZOAGGDUCK-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.27
Rot. Bonds8

About N,N-dimethyl-2-[4-(4-phenylbut-1-enyl)phenoxy]ethanamine

N,N-dimethyl-2-[4-(4-phenylbut-1-enyl)phenoxy]ethanamine (PubChem CID 173386567) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(4-phenylbut-1-enyl)phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(4-phenylbut-1-enyl)phenoxy]ethanamine
PubChem CID173386567
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC NameN,N-dimethyl-2-[4-(4-phenylbut-1-enyl)phenoxy]ethanamine
SMILESCN(C)CCOc1ccc(C=CCCc2ccccc2)cc1
InChIInChI=1S/C20H25NO/c1-21(2)16-17-22-20-14-12-19(13-15-20)11-7-6-10-18-8-4-3-5-9-18/h3-5,7-9,11-15H,6,10,16-17H2,1-2H3
InChIKeyZTUXIZOAGGDUCK-UHFFFAOYSA-N
XLogP4.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-1-amine
CID 63968014
2-[4-(3-chloroprop-1-enyl)phenoxy]-N,N-dimethylethanamine
CID 79334607
benzyl N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enyl]carbamate
CID 169472519
4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-enamide
CID 170798811
N,N-dimethyl-3-[4-[(Z)-prop-1-enyl]phenoxy]propan-1-amine
CID 143260557
4-[4-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 57100920
(E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-2-ol
CID 113360091
N,N-dimethyl-2-[4-[(E)-2-nitroethenyl]phenoxy]ethanamine
CID 55017611
2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715461
2-[4-[2-(dimethylamino)ethoxy]phenyl]ethanol
CID 83390498
5-phenoxypent-1-enylbenzene
CID 173201484
3-[4-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]phenyl]prop-2-enoic acid
CID 76951172

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(4-phenylbut-1-enyl)phenoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-(4-phenylbut-1-enyl)phenoxy]ethanamine (CID 173386567) is N,N-dimethyl-2-[4-(4-phenylbut-1-enyl)phenoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-(4-phenylbut-1-enyl)phenoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-(4-phenylbut-1-enyl)phenoxy]ethanamine is CN(C)CCOc1ccc(C=CCCc2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-(4-phenylbut-1-enyl)phenoxy]ethanamine?
The InChIKey is ZTUXIZOAGGDUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-21(2)16-17-22-20-14-12-19(13-15-20)11-7-6-10-18-8-4-3-5-9-18/h3-5,7-9,11-15H,6,10,16-17H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-(4-phenylbut-1-enyl)phenoxy]ethanamine?
N,N-dimethyl-2-[4-(4-phenylbut-1-enyl)phenoxy]ethanamine has a molecular weight of 295.43 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(4-phenylbut-1-enyl)phenoxy]ethanamine is sourced from PubChem (CID 173386567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).