1-(3,4-dimethoxyphenyl)-N-prop-2-enylpropan-1-amine

C14H21NO2 — CID 43200540

IUPAC1-(3,4-dimethoxyphenyl)-N-prop-2-enylpropan-1-amine
SMILESC=CCNC(CC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H21NO2/c1-5-9-15-12(6-2)11-7-8-13(16-3)14(10-11)17-4/h5,7-8,10,12,15H,1,6,9H2,2-4H3
InChIKeyBGJJYCUZVWAKNY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.93
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-N-prop-2-enylpropan-1-amine

1-(3,4-dimethoxyphenyl)-N-prop-2-enylpropan-1-amine (PubChem CID 43200540) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-prop-2-enylpropan-1-amine
PubChem CID43200540
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(3,4-dimethoxyphenyl)-N-prop-2-enylpropan-1-amine
SMILESC=CCNC(CC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H21NO2/c1-5-9-15-12(6-2)11-7-8-13(16-3)14(10-11)17-4/h5,7-8,10,12,15H,1,6,9H2,2-4H3
InChIKeyBGJJYCUZVWAKNY-UHFFFAOYSA-N
XLogP2.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
1-(3,4-dimethoxyphenyl)-N-(2-methoxypropyl)propan-1-amine
CID 102696299
1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 43200660
1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 57046449
N-[1-(3,4-dimethoxyphenyl)propyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62634495
1-(3-bromo-4-methoxyphenyl)-N-prop-2-enylethane-1,2-diamine
CID 65383655
N-[1-(3,4-dimethoxyphenyl)propyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62636259
4-[1-(3,4-dimethoxyphenyl)propylamino]butan-2-ol
CID 64912152
3-[1-(3,4-dimethoxyphenyl)propylamino]propanenitrile
CID 43207726
N-[1-(3,4-dimethoxyphenyl)propyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115725943
1-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 43204862
1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine
CID 62066206

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-prop-2-enylpropan-1-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-prop-2-enylpropan-1-amine (CID 43200540) is 1-(3,4-dimethoxyphenyl)-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-prop-2-enylpropan-1-amine is C=CCNC(CC)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-prop-2-enylpropan-1-amine?
The InChIKey is BGJJYCUZVWAKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-9-15-12(6-2)11-7-8-13(16-3)14(10-11)17-4/h5,7-8,10,12,15H,1,6,9H2,2-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-prop-2-enylpropan-1-amine?
1-(3,4-dimethoxyphenyl)-N-prop-2-enylpropan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 43200540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).