N-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-prop-2-enylprop-2-en-1-amine

C16H24N2O — CID 84754898

IUPACN-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)Cc1ccc(CN)c(OCC)c1
InChIInChI=1S/C16H24N2O/c1-4-9-18(10-5-2)13-14-7-8-15(12-17)16(11-14)19-6-3/h4-5,7-8,11H,1-2,6,9-10,12-13,17H2,3H3
InChIKeyGKXGOWGDBHLKAP-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.72
Rot. Bonds9

About N-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-prop-2-enylprop-2-en-1-amine

N-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 84754898) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID84754898
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)Cc1ccc(CN)c(OCC)c1
InChIInChI=1S/C16H24N2O/c1-4-9-18(10-5-2)13-14-7-8-15(12-17)16(11-14)19-6-3/h4-5,7-8,11H,1-2,6,9-10,12-13,17H2,3H3
InChIKeyGKXGOWGDBHLKAP-UHFFFAOYSA-N
XLogP2.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.72
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

N-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-ethylethanamine
CID 84754901
2-[[4-(aminomethyl)-3-ethoxyphenyl]methyl-methylamino]ethanol
CID 84754903
3-[[4-(aminomethyl)-3-ethoxyphenyl]methyl-ethylamino]propanoic acid
CID 84754920
[2-ethoxy-4-(piperazin-1-ylmethyl)phenyl]methanamine
CID 84754915
N-[[3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 84746048
2-[4-(aminomethyl)-2-ethoxyphenyl]acetic acid
CID 141481719
4-(aminomethyl)-3-ethoxybenzonitrile;hydrochloride
CID 22476066
[2-ethoxy-4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 84754907
2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 106785478
N-(1,3-benzodioxol-5-ylmethyl)-N-prop-2-enylprop-2-en-1-amine
CID 15932105
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103340392
(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methanamine
CID 54849601

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-prop-2-enylprop-2-en-1-amine (CID 84754898) is N-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)Cc1ccc(CN)c(OCC)c1.
What is the InChIKey of N-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is GKXGOWGDBHLKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-9-18(10-5-2)13-14-7-8-15(12-17)16(11-14)19-6-3/h4-5,7-8,11H,1-2,6,9-10,12-13,17H2,3H3.
What are the key properties of N-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-prop-2-enylprop-2-en-1-amine?
N-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 260.38 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 84754898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).