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

C16H25NO3 — CID 105005165

IUPAC2-methyl-N-propyl-1-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine
SMILESC=C(C)C(NCCC)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C16H25NO3/c1-7-8-17-16(11(2)3)12-9-14(19-5)15(20-6)10-13(12)18-4/h9-10,16-17H,2,7-8H2,1,3-6H3
InChIKeyFDTYASHFKJDBLC-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.33
Rot. Bonds8

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

2-methyl-N-propyl-1-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine (PubChem CID 105005165) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-methyl-N-propyl-1-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-1-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine
PubChem CID105005165
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-methyl-N-propyl-1-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine
SMILESC=C(C)C(NCCC)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C16H25NO3/c1-7-8-17-16(11(2)3)12-9-14(19-5)15(20-6)10-13(12)18-4/h9-10,16-17H,2,7-8H2,1,3-6H3
InChIKeyFDTYASHFKJDBLC-UHFFFAOYSA-N
XLogP3.33
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.33
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-(3-bromo-4-methoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 105005152
N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 55030359
N-[2,2,2-trifluoro-1-(2,4,5-trimethoxyphenyl)ethyl]propan-1-amine
CID 66204572
1-(2,4-dimethylphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 105005528
2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 43753940
methyl 2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetate
CID 60785844
1-(4-chloro-2-fluorophenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79177275
1-(3,6-dimethylpyridazin-4-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 105163793
2-methyl-1-(2-methylsulfanylphenyl)-N-propylprop-2-en-1-amine
CID 105005378
1-(4-bromo-2-chlorophenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 105005047
1-(3,4-dimethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79190712
1-(2,6-dimethyl-4-pyridinyl)-2-methyl-N-propylprop-2-en-1-amine
CID 107504040

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-1-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine?
The IUPAC name of 2-methyl-N-propyl-1-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine (CID 105005165) is 2-methyl-N-propyl-1-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-N-propyl-1-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine?
The canonical SMILES for 2-methyl-N-propyl-1-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine is C=C(C)C(NCCC)c1cc(OC)c(OC)cc1OC.
What is the InChIKey of 2-methyl-N-propyl-1-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine?
The InChIKey is FDTYASHFKJDBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-7-8-17-16(11(2)3)12-9-14(19-5)15(20-6)10-13(12)18-4/h9-10,16-17H,2,7-8H2,1,3-6H3.
What are the key properties of 2-methyl-N-propyl-1-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine?
2-methyl-N-propyl-1-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine has a molecular weight of 279.38 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-1-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 105005165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).