N-methyl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine

C13H19NO3 — CID 105001000

IUPACN-methyl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
SMILESC=CC(NC)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C13H19NO3/c1-6-10(14-2)9-7-11(15-3)13(17-5)12(8-9)16-4/h6-8,10,14H,1H2,2-5H3
InChIKeyYFYDIGZQEVCUNH-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.16
Rot. Bonds6

About N-methyl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine

N-methyl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine (PubChem CID 105001000) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-methyl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
PubChem CID105001000
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-methyl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
SMILESC=CC(NC)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C13H19NO3/c1-6-10(14-2)9-7-11(15-3)13(17-5)12(8-9)16-4/h6-8,10,14H,1H2,2-5H3
InChIKeyYFYDIGZQEVCUNH-UHFFFAOYSA-N
XLogP2.16
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.16
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

N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine
CID 116954412
N,N',N'-trimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine
CID 116909317
N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-enamide
CID 51346106
2-(methylamino)-1-(3,4,5-trimethoxyphenyl)propan-1-ol
CID 112514738
1-(4-chloro-2-methoxyphenyl)-N-methylprop-2-en-1-amine
CID 105000664
N-methyl-4-(3,4,5-trimethoxyphenyl)hexan-3-amine
CID 22163988
1-(3-methoxythiophen-2-yl)-N-methylprop-2-en-1-amine
CID 105000773
N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine
CID 116948624
3-ethyl-N-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine
CID 105028365
(1S)-1-(3,4,5-trimethoxyphenyl)pent-4-en-1-amine
CID 171219154
2,2-difluoro-1-(3,4,5-trimethoxyphenyl)but-3-en-1-ol
CID 134861831
(1R)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 63365303

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine?
The IUPAC name of N-methyl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine (CID 105001000) is N-methyl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine is C=CC(NC)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-methyl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine?
The InChIKey is YFYDIGZQEVCUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-6-10(14-2)9-7-11(15-3)13(17-5)12(8-9)16-4/h6-8,10,14H,1H2,2-5H3.
What are the key properties of N-methyl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine?
N-methyl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine has a molecular weight of 237.30 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 105001000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).