N-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-ethylethanamine

C14H24N2O — CID 84754901

IUPACN-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-ethylethanamine
SMILESCCOc1cc(CN(CC)CC)ccc1CN
InChIInChI=1S/C14H24N2O/c1-4-16(5-2)11-12-7-8-13(10-15)14(9-12)17-6-3/h7-9H,4-6,10-11,15H2,1-3H3
InChIKeyQGQPGUTYAJDKOZ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.39
Rot. Bonds7

About N-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-ethylethanamine

N-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-ethylethanamine (PubChem CID 84754901) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-ethylethanamine
PubChem CID84754901
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-ethylethanamine
SMILESCCOc1cc(CN(CC)CC)ccc1CN
InChIInChI=1S/C14H24N2O/c1-4-16(5-2)11-12-7-8-13(10-15)14(9-12)17-6-3/h7-9H,4-6,10-11,15H2,1-3H3
InChIKeyQGQPGUTYAJDKOZ-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(aminomethyl)-3-ethoxyphenyl]methyl-ethylamino]propanoic acid
CID 84754920
N-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 84754898
2-[[4-(aminomethyl)-3-ethoxyphenyl]methyl-methylamino]ethanol
CID 84754903
3-(diethylaminomethyl)-4-ethoxyaniline
CID 12703368
2-[4-(aminomethyl)-2-ethoxyphenyl]acetic acid
CID 141481719
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65340694
[2-ethoxy-4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 84754907
[2-ethoxy-4-(piperazin-1-ylmethyl)phenyl]methanamine
CID 84754915
2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 106785478
2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-ethylamino]-N-propan-2-ylacetamide
CID 106785344
4-[[bis(2-methylpropyl)amino]methyl]-2-ethoxyphenol
CID 82982111
4-(aminomethyl)-3-ethoxybenzonitrile;hydrochloride
CID 22476066

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-ethylethanamine (CID 84754901) is N-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-ethylethanamine is CCOc1cc(CN(CC)CC)ccc1CN.
What is the InChIKey of N-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-ethylethanamine?
The InChIKey is QGQPGUTYAJDKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-16(5-2)11-12-7-8-13(10-15)14(9-12)17-6-3/h7-9H,4-6,10-11,15H2,1-3H3.
What are the key properties of N-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-ethylethanamine?
N-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-ethylethanamine has a molecular weight of 236.36 g/mol, XLogP of 2.39, 7 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-ethylethanamine is sourced from PubChem (CID 84754901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).