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

C19H23NO — CID 143961107

IUPACN,N-dimethyl-2-[4-(1-phenylprop-2-enyl)phenoxy]ethanamine
SMILESC=CC(c1ccccc1)c1ccc(OCCN(C)C)cc1
InChIInChI=1S/C19H23NO/c1-4-19(16-8-6-5-7-9-16)17-10-12-18(13-11-17)21-15-14-20(2)3/h4-13,19H,1,14-15H2,2-3H3
InChIKeyOGRKNCVMEFTVGT-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.94
Rot. Bonds7

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

N,N-dimethyl-2-[4-(1-phenylprop-2-enyl)phenoxy]ethanamine (PubChem CID 143961107) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(1-phenylprop-2-enyl)phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(1-phenylprop-2-enyl)phenoxy]ethanamine
PubChem CID143961107
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN,N-dimethyl-2-[4-(1-phenylprop-2-enyl)phenoxy]ethanamine
SMILESC=CC(c1ccccc1)c1ccc(OCCN(C)C)cc1
InChIInChI=1S/C19H23NO/c1-4-19(16-8-6-5-7-9-16)17-10-12-18(13-11-17)21-15-14-20(2)3/h4-13,19H,1,14-15H2,2-3H3
InChIKeyOGRKNCVMEFTVGT-UHFFFAOYSA-N
XLogP3.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-ethoxy-4-(1-phenylprop-2-enyl)benzene
CID 57277088
3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-3-enyl]phenol
CID 11531171
3-[(1R,2R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-3-enyl]phenol
CID 101392610
1-methoxy-4-[(1R)-1-phenylprop-2-enyl]benzene
CID 102287060
3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylbut-2-enyl]phenol
CID 67671283
2-[4-(1,3-diphenylpentan-2-yl)phenoxy]-N,N-dimethylethanamine
CID 143961238
2-[4-[1-(4-chlorophenyl)-2-phenylbutyl]phenoxy]-N,N-dimethylethanamine
CID 70013344
2-[4-[1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylbut-3-enyl]phenoxy]-N,N-diethylethanamine
CID 24967269
1-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-2-en-1-ol
CID 123847593
1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-[4-(methoxymethoxy)phenyl]-2-phenylpent-4-en-2-ol
CID 101045475
3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbutyl]phenol
CID 123134411
2-[(6-ethenyl-3-pyridinyl)oxy]-N,N-dimethylethanamine
CID 175999617

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(1-phenylprop-2-enyl)phenoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-(1-phenylprop-2-enyl)phenoxy]ethanamine (CID 143961107) is N,N-dimethyl-2-[4-(1-phenylprop-2-enyl)phenoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-(1-phenylprop-2-enyl)phenoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-(1-phenylprop-2-enyl)phenoxy]ethanamine is C=CC(c1ccccc1)c1ccc(OCCN(C)C)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-(1-phenylprop-2-enyl)phenoxy]ethanamine?
The InChIKey is OGRKNCVMEFTVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-4-19(16-8-6-5-7-9-16)17-10-12-18(13-11-17)21-15-14-20(2)3/h4-13,19H,1,14-15H2,2-3H3.
What are the key properties of N,N-dimethyl-2-[4-(1-phenylprop-2-enyl)phenoxy]ethanamine?
N,N-dimethyl-2-[4-(1-phenylprop-2-enyl)phenoxy]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 3.94, 7 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-(1-phenylprop-2-enyl)phenoxy]ethanamine is sourced from PubChem (CID 143961107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).