N-[[3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine

C18H28N2O2 — CID 84746048

IUPACN-[[3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)Cc1ccc(CNCCOC)c(OC)c1
InChIInChI=1S/C18H28N2O2/c1-5-10-20(11-6-2)15-16-7-8-17(18(13-16)22-4)14-19-9-12-21-3/h5-8,13,19H,1-2,9-12,14-15H2,3-4H3
InChIKeyXHRZKDJHNYKTIR-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.61
Rot. Bonds12

About N-[[3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine

N-[[3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 84746048) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[[3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID84746048
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[[3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)Cc1ccc(CNCCOC)c(OC)c1
InChIInChI=1S/C18H28N2O2/c1-5-10-20(11-6-2)15-16-7-8-17(18(13-16)22-4)14-19-9-12-21-3/h5-8,13,19H,1-2,9-12,14-15H2,3-4H3
InChIKeyXHRZKDJHNYKTIR-UHFFFAOYSA-N
XLogP2.61
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-[[2-(dimethylamino)ethylamino]methyl]-3-methoxyphenyl]methyl-ethylamino]ethanol
CID 84746090
N-[[3-methoxy-4-[(prop-2-enylamino)methyl]phenyl]methyl]-N-methylcyclohexanamine
CID 84746004
N-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 84754898
N-ethyl-N-[[3-methoxy-4-[(pyridin-4-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 84746117
2-methoxy-N-[(5-methoxy-2-prop-2-enoxyphenyl)methyl]ethanamine
CID 63062163
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103340393
3-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 17206660
2-[[3-methoxy-4-[(3-methylbutylamino)methyl]phenyl]methyl-methylamino]acetic acid
CID 84746152
2-methoxy-N-[[4-methoxy-3-(methoxymethoxy)phenyl]methyl]ethanamine
CID 65364721
2,6-dimethoxy-4-[(2-methoxyethylamino)methyl]phenol
CID 3614509
N-ethyl-N-[[3-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 84746118
N-[(2,4-dimethoxyphenyl)methyl]prop-2-en-1-amine
CID 4722371

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[[3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine (CID 84746048) is N-[[3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[[3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[[3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)Cc1ccc(CNCCOC)c(OC)c1.
What is the InChIKey of N-[[3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is XHRZKDJHNYKTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-10-20(11-6-2)15-16-7-8-17(18(13-16)22-4)14-19-9-12-21-3/h5-8,13,19H,1-2,9-12,14-15H2,3-4H3.
What are the key properties of N-[[3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine?
N-[[3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 304.43 g/mol, XLogP of 2.61, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 84746048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).