(E)-3-[2-(2-aminoethoxy)phenyl]-N-methylprop-2-en-1-amine

C12H18N2O — CID 58788114

IUPAC(E)-3-[2-(2-aminoethoxy)phenyl]-N-methylprop-2-en-1-amine
SMILESCNC/C=C/c1ccccc1OCCN
InChIInChI=1S/C12H18N2O/c1-14-9-4-6-11-5-2-3-7-12(11)15-10-8-13/h2-7,14H,8-10,13H2,1H3/b6-4+
InChIKeyZIGSGVATPMZYPS-GQCTYLIASA-N
MW206.29 g/mol
LogP1.26
Rot. Bonds6

About (E)-3-[2-(2-aminoethoxy)phenyl]-N-methylprop-2-en-1-amine

(E)-3-[2-(2-aminoethoxy)phenyl]-N-methylprop-2-en-1-amine (PubChem CID 58788114) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (E)-3-[2-(2-aminoethoxy)phenyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[2-(2-aminoethoxy)phenyl]-N-methylprop-2-en-1-amine
PubChem CID58788114
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(E)-3-[2-(2-aminoethoxy)phenyl]-N-methylprop-2-en-1-amine
SMILESCNC/C=C/c1ccccc1OCCN
InChIInChI=1S/C12H18N2O/c1-14-9-4-6-11-5-2-3-7-12(11)15-10-8-13/h2-7,14H,8-10,13H2,1H3/b6-4+
InChIKeyZIGSGVATPMZYPS-GQCTYLIASA-N
XLogP1.26
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethoxyphenyl)but-3-en-1-amine
CID 76997332
2-[2-(2-aminoethoxy)phenoxy]ethanamine
CID 2054448
N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine
CID 78918220
(E)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine
CID 54775827
1-[(E)-but-1-enyl]-2-propoxybenzene;methane
CID 159219180
2-fluoro-6-[3-(methylamino)prop-1-enyl]aniline
CID 169473296
N-methyl-4-(2-prop-1-enylphenoxy)butan-1-amine
CID 76943530
N-[3-(2-ethoxyphenyl)prop-2-enyl]acetamide
CID 169465357
3-[2-[(E)-2-phenylethenyl]phenoxy]propan-1-amine
CID 20555192
N-methyl-3-(2-phenylphenyl)prop-2-en-1-amine
CID 169474332
N-[3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]prop-2-enyl]acetamide
CID 169466327
methyl 2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenoxy]acetate
CID 169468759

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(2-aminoethoxy)phenyl]-N-methylprop-2-en-1-amine?
The IUPAC name of (E)-3-[2-(2-aminoethoxy)phenyl]-N-methylprop-2-en-1-amine (CID 58788114) is (E)-3-[2-(2-aminoethoxy)phenyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-[2-(2-aminoethoxy)phenyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for (E)-3-[2-(2-aminoethoxy)phenyl]-N-methylprop-2-en-1-amine is CNC/C=C/c1ccccc1OCCN.
What is the InChIKey of (E)-3-[2-(2-aminoethoxy)phenyl]-N-methylprop-2-en-1-amine?
The InChIKey is ZIGSGVATPMZYPS-GQCTYLIASA-N. The full InChI is InChI=1S/C12H18N2O/c1-14-9-4-6-11-5-2-3-7-12(11)15-10-8-13/h2-7,14H,8-10,13H2,1H3/b6-4+.
What are the key properties of (E)-3-[2-(2-aminoethoxy)phenyl]-N-methylprop-2-en-1-amine?
(E)-3-[2-(2-aminoethoxy)phenyl]-N-methylprop-2-en-1-amine has a molecular weight of 206.29 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(2-aminoethoxy)phenyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 58788114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).