N,2-dimethyl-1-(3,4,5-triethoxyphenyl)prop-2-en-1-amine

C17H27NO3 — CID 105005592

IUPACN,2-dimethyl-1-(3,4,5-triethoxyphenyl)prop-2-en-1-amine
SMILESC=C(C)C(NC)c1cc(OCC)c(OCC)c(OCC)c1
InChIInChI=1S/C17H27NO3/c1-7-19-14-10-13(16(18-6)12(4)5)11-15(20-8-2)17(14)21-9-3/h10-11,16,18H,4,7-9H2,1-3,5-6H3
InChIKeyZAHLIWOGKGRWFQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.72
Rot. Bonds9

About N,2-dimethyl-1-(3,4,5-triethoxyphenyl)prop-2-en-1-amine

N,2-dimethyl-1-(3,4,5-triethoxyphenyl)prop-2-en-1-amine (PubChem CID 105005592) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N,2-dimethyl-1-(3,4,5-triethoxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(3,4,5-triethoxyphenyl)prop-2-en-1-amine
PubChem CID105005592
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN,2-dimethyl-1-(3,4,5-triethoxyphenyl)prop-2-en-1-amine
SMILESC=C(C)C(NC)c1cc(OCC)c(OCC)c(OCC)c1
InChIInChI=1S/C17H27NO3/c1-7-19-14-10-13(16(18-6)12(4)5)11-15(20-8-2)17(14)21-9-3/h10-11,16,18H,4,7-9H2,1-3,5-6H3
InChIKeyZAHLIWOGKGRWFQ-UHFFFAOYSA-N
XLogP3.72
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 115533805
2-methyl-1-(3,4,5-triethoxyphenyl)butan-1-ol
CID 115823357
3-methyl-1-(3,4,5-triethoxyphenyl)but-3-en-1-one
CID 115780575
N-ethyl-1-(3,4,5-triethoxyphenyl)ethanamine
CID 115780806
N,2-dimethyl-1-(3-propoxyphenyl)prop-2-en-1-amine
CID 105005311
3,4,5-triethoxyphenol
CID 19754898
N-[(2S)-butan-2-yl]-3,4,5-triethoxybenzamide
CID 876684
1,2,3-triethoxy-5-ethylbenzene
CID 91457664
1-(3,4-dimethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79190712
3,4,5-triethoxybenzenecarbothioamide
CID 82346489
1-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol
CID 83950833
N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 105005111

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(3,4,5-triethoxyphenyl)prop-2-en-1-amine?
The IUPAC name of N,2-dimethyl-1-(3,4,5-triethoxyphenyl)prop-2-en-1-amine (CID 105005592) is N,2-dimethyl-1-(3,4,5-triethoxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for N,2-dimethyl-1-(3,4,5-triethoxyphenyl)prop-2-en-1-amine?
The canonical SMILES for N,2-dimethyl-1-(3,4,5-triethoxyphenyl)prop-2-en-1-amine is C=C(C)C(NC)c1cc(OCC)c(OCC)c(OCC)c1.
What is the InChIKey of N,2-dimethyl-1-(3,4,5-triethoxyphenyl)prop-2-en-1-amine?
The InChIKey is ZAHLIWOGKGRWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-7-19-14-10-13(16(18-6)12(4)5)11-15(20-8-2)17(14)21-9-3/h10-11,16,18H,4,7-9H2,1-3,5-6H3.
What are the key properties of N,2-dimethyl-1-(3,4,5-triethoxyphenyl)prop-2-en-1-amine?
N,2-dimethyl-1-(3,4,5-triethoxyphenyl)prop-2-en-1-amine has a molecular weight of 293.41 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(3,4,5-triethoxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 105005592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).