2-[2-[4-(aminomethyl)-N,3-dimethylanilino]ethoxy]ethanol

C13H22N2O2 — CID 114242987

IUPAC2-[2-[4-(aminomethyl)-N,3-dimethylanilino]ethoxy]ethanol
SMILESCc1cc(N(C)CCOCCO)ccc1CN
InChIInChI=1S/C13H22N2O2/c1-11-9-13(4-3-12(11)10-14)15(2)5-7-17-8-6-16/h3-4,9,16H,5-8,10,14H2,1-2H3
InChIKeyCVPIJOWJAFJMMP-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.90
Rot. Bonds7

About 2-[2-[4-(aminomethyl)-N,3-dimethylanilino]ethoxy]ethanol

2-[2-[4-(aminomethyl)-N,3-dimethylanilino]ethoxy]ethanol (PubChem CID 114242987) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[2-[4-(aminomethyl)-N,3-dimethylanilino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-(aminomethyl)-N,3-dimethylanilino]ethoxy]ethanol
PubChem CID114242987
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[2-[4-(aminomethyl)-N,3-dimethylanilino]ethoxy]ethanol
SMILESCc1cc(N(C)CCOCCO)ccc1CN
InChIInChI=1S/C13H22N2O2/c1-11-9-13(4-3-12(11)10-14)15(2)5-7-17-8-6-16/h3-4,9,16H,5-8,10,14H2,1-2H3
InChIKeyCVPIJOWJAFJMMP-UHFFFAOYSA-N
XLogP0.90
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(aminomethyl)-N-(2-hydroxyethyl)-3-methylanilino]ethanol
CID 81273324
4-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)aniline
CID 81273880
2-[2-[2-[2-[2-(N-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 101064678
2-[4-(aminomethyl)-3-bromo-N-methylanilino]ethanol
CID 107274749
4-(2-aminoethyl)-N-(3-methoxypropyl)-N,3-dimethylaniline
CID 63783455
N'-[4-(2-aminoethyl)-3-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63783958
4-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N,3-dimethylaniline
CID 81273319
2-[2-[4-(ethylaminomethyl)-N-methylanilino]ethoxy]ethanol
CID 114243255
2-[2-(N-methyl-4-prop-2-ynoxyanilino)ethoxy]ethanol
CID 111439695
5-[N,3-dimethyl-4-(methylaminomethyl)anilino]pentan-1-ol
CID 107201156
4-(2-aminoethyl)-N,3-dimethyl-N-(2-methylsulfanylethyl)aniline
CID 112666709
4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-3-methylaniline
CID 62135216

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(aminomethyl)-N,3-dimethylanilino]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-(aminomethyl)-N,3-dimethylanilino]ethoxy]ethanol (CID 114242987) is 2-[2-[4-(aminomethyl)-N,3-dimethylanilino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-(aminomethyl)-N,3-dimethylanilino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-(aminomethyl)-N,3-dimethylanilino]ethoxy]ethanol is Cc1cc(N(C)CCOCCO)ccc1CN.
What is the InChIKey of 2-[2-[4-(aminomethyl)-N,3-dimethylanilino]ethoxy]ethanol?
The InChIKey is CVPIJOWJAFJMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-11-9-13(4-3-12(11)10-14)15(2)5-7-17-8-6-16/h3-4,9,16H,5-8,10,14H2,1-2H3.
What are the key properties of 2-[2-[4-(aminomethyl)-N,3-dimethylanilino]ethoxy]ethanol?
2-[2-[4-(aminomethyl)-N,3-dimethylanilino]ethoxy]ethanol has a molecular weight of 238.33 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(aminomethyl)-N,3-dimethylanilino]ethoxy]ethanol is sourced from PubChem (CID 114242987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).