N,N-dimethyl-3-(1-phenylprop-2-enoxy)aniline

C17H19NO — CID 68584569

IUPACN,N-dimethyl-3-(1-phenylprop-2-enoxy)aniline
SMILESC=CC(Oc1cccc(N(C)C)c1)c1ccccc1
InChIInChI=1S/C17H19NO/c1-4-17(14-9-6-5-7-10-14)19-16-12-8-11-15(13-16)18(2)3/h4-13,17H,1H2,2-3H3
InChIKeyIOFIDZXOJIAGCS-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.06
Rot. Bonds5

About N,N-dimethyl-3-(1-phenylprop-2-enoxy)aniline

N,N-dimethyl-3-(1-phenylprop-2-enoxy)aniline (PubChem CID 68584569) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is N,N-dimethyl-3-(1-phenylprop-2-enoxy)aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-(1-phenylprop-2-enoxy)aniline
PubChem CID68584569
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC NameN,N-dimethyl-3-(1-phenylprop-2-enoxy)aniline
SMILESC=CC(Oc1cccc(N(C)C)c1)c1ccccc1
InChIInChI=1S/C17H19NO/c1-4-17(14-9-6-5-7-10-14)19-16-12-8-11-15(13-16)18(2)3/h4-13,17H,1H2,2-3H3
InChIKeyIOFIDZXOJIAGCS-UHFFFAOYSA-N
XLogP4.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-3-(1-phenylprop-2-enoxy)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-3-(1-phenylprop-2-enoxy)benzene
CID 68585069
1-phenoxyprop-2-enylbenzene
CID 11735962
3-[(1S)-1-phenylprop-2-enoxy]benzaldehyde
CID 7343496
N,N-dimethyl-3-[2-(methylamino)-1-phenylethoxy]aniline
CID 62484883
2-[3-(dimethylamino)phenoxy]propanoic acid
CID 22683634
1-methoxyprop-2-enylbenzene
CID 11029990
N,N-dimethyl-3-(2-phenylsulfanylethoxy)aniline
CID 79403547
2-[3-(dimethylamino)phenoxy]-1-phenylethanone
CID 60773053
4-[2-[3-(dimethylamino)phenoxy]ethoxy]benzoic acid
CID 20985248
[3-(dimethylamino)phenyl] 2-methylprop-2-enoate
CID 18954612
[3-(dimethylamino)phenyl] carbamate
CID 23622089
1-phenyl-1-[4-(1-phenylprop-2-enoxy)phenyl]propan-1-ol
CID 139881330

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(1-phenylprop-2-enoxy)aniline?
The IUPAC name of N,N-dimethyl-3-(1-phenylprop-2-enoxy)aniline (CID 68584569) is N,N-dimethyl-3-(1-phenylprop-2-enoxy)aniline.
What is the SMILES notation for N,N-dimethyl-3-(1-phenylprop-2-enoxy)aniline?
The canonical SMILES for N,N-dimethyl-3-(1-phenylprop-2-enoxy)aniline is C=CC(Oc1cccc(N(C)C)c1)c1ccccc1.
What is the InChIKey of N,N-dimethyl-3-(1-phenylprop-2-enoxy)aniline?
The InChIKey is IOFIDZXOJIAGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-4-17(14-9-6-5-7-10-14)19-16-12-8-11-15(13-16)18(2)3/h4-13,17H,1H2,2-3H3.
What are the key properties of N,N-dimethyl-3-(1-phenylprop-2-enoxy)aniline?
N,N-dimethyl-3-(1-phenylprop-2-enoxy)aniline has a molecular weight of 253.34 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(1-phenylprop-2-enoxy)aniline is sourced from PubChem (CID 68584569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).