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

C13H19NO3 — CID 142155659

IUPAC(Z)-N-methyl-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-amine
SMILESCN/C(C)=C\c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C13H19NO3/c1-9(14-2)6-10-7-11(15-3)13(17-5)12(8-10)16-4/h6-8,14H,1-5H3/b9-6-
InChIKeyIKZLCFFGFDQKDH-TWGQIWQCSA-N
MW237.30 g/mol
LogP2.29
Rot. Bonds5

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

(Z)-N-methyl-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-amine (PubChem CID 142155659) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (Z)-N-methyl-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-N-methyl-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-amine
PubChem CID142155659
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(Z)-N-methyl-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-amine
SMILESCN/C(C)=C\c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C13H19NO3/c1-9(14-2)6-10-7-11(15-3)13(17-5)12(8-10)16-4/h6-8,14H,1-5H3/b9-6-
InChIKeyIKZLCFFGFDQKDH-TWGQIWQCSA-N
XLogP2.29
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
CID 2740034
methyl 2-nitro-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 71335673
3-(3-chloro-4,5-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79341614
N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
CID 79344316
(3E)-3-[(3,4,5-trimethoxyphenyl)methylidene]heptane-2,4-dione
CID 134518332
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 69302242
(E)-3-(3-hydroxy-4,5-dimethoxyphenyl)-2-methylprop-2-enoic acid
CID 170873128
5-[2-fluoro-2-(4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 175336601
(E)-4-methyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol
CID 6446799
diethyl (2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]butanedioate
CID 177384775
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-2-methylprop-2-enoic acid
CID 170873206

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-amine?
The IUPAC name of (Z)-N-methyl-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-amine (CID 142155659) is (Z)-N-methyl-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-amine.
What is the SMILES notation for (Z)-N-methyl-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-amine?
The canonical SMILES for (Z)-N-methyl-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-amine is CN/C(C)=C\c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (Z)-N-methyl-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-amine?
The InChIKey is IKZLCFFGFDQKDH-TWGQIWQCSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(14-2)6-10-7-11(15-3)13(17-5)12(8-10)16-4/h6-8,14H,1-5H3/b9-6-.
What are the key properties of (Z)-N-methyl-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-amine?
(Z)-N-methyl-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-amine has a molecular weight of 237.30 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-amine is sourced from PubChem (CID 142155659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).