N-[2-[benzyl(methyl)amino]ethoxy]aniline

C16H20N2O — CID 23193285

IUPACN-[2-[benzyl(methyl)amino]ethoxy]aniline
SMILESCN(CCONc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H20N2O/c1-18(14-15-8-4-2-5-9-15)12-13-19-17-16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3
InChIKeyUSPHYUPAUBTSHU-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.16
Rot. Bonds7

About N-[2-[benzyl(methyl)amino]ethoxy]aniline

N-[2-[benzyl(methyl)amino]ethoxy]aniline (PubChem CID 23193285) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]ethoxy]aniline.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]ethoxy]aniline
PubChem CID23193285
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[2-[benzyl(methyl)amino]ethoxy]aniline
SMILESCN(CCONc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H20N2O/c1-18(14-15-8-4-2-5-9-15)12-13-19-17-16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3
InChIKeyUSPHYUPAUBTSHU-UHFFFAOYSA-N
XLogP3.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(Morpholinomethyl)aniline
CID 776851
N-propyl-N-4-aminophenylethyl-3-(4-nitrophenyl)propylamine
CID 46212858
[4-[2-[2-[4-(diaminomethyl)-N-methylanilino]ethoxy]ethyl-methylamino]phenyl]methanediamine
CID 122182338
Benzenemethanaminium, N,N-bis(2-hydroxyethyl)-N-phenyl-, chloride (1:1)
CID 44150548
2-[Benzyl(3-nitrobenzyl)amino]ethanol
CID 783452
1-Benzyl-4-(methoxymethyl)-N-phenylpiperidin-4-amine
CID 3047724
3-(Morpholin-4-ylmethyl)aniline
CID 1096406
2-(Morpholin-4-ylmethyl)aniline
CID 6484555
4-((Benzyl(propyl)amino)methyl)aniline
CID 23507200
4-[1-(Morpholin-4-yl)ethyl]aniline
CID 50987527
2-(N-benzylanilino)ethanol
CID 10680815
N-benzyl-N-ethylbenzeneamine oxide
CID 15877134

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]ethoxy]aniline?
The IUPAC name of N-[2-[benzyl(methyl)amino]ethoxy]aniline (CID 23193285) is N-[2-[benzyl(methyl)amino]ethoxy]aniline.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]ethoxy]aniline?
The canonical SMILES for N-[2-[benzyl(methyl)amino]ethoxy]aniline is CN(CCONc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]ethoxy]aniline?
The InChIKey is USPHYUPAUBTSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-18(14-15-8-4-2-5-9-15)12-13-19-17-16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3.
What are the key properties of N-[2-[benzyl(methyl)amino]ethoxy]aniline?
N-[2-[benzyl(methyl)amino]ethoxy]aniline has a molecular weight of 256.35 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]ethoxy]aniline is sourced from PubChem (CID 23193285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).