2-[(1R)-1-aminoethyl]-N-(2-ethoxyethyl)-N-ethylaniline

C14H24N2O — CID 63697735

IUPAC2-[(1R)-1-aminoethyl]-N-(2-ethoxyethyl)-N-ethylaniline
SMILESCCOCCN(CC)c1ccccc1[C@@H](C)N
InChIInChI=1S/C14H24N2O/c1-4-16(10-11-17-5-2)14-9-7-6-8-13(14)12(3)15/h6-9,12H,4-5,10-11,15H2,1-3H3/t12-/m1/s1
InChIKeyACBRCLBYQGJJMA-GFCCVEGCSA-N
MW236.36 g/mol
LogP2.57
Rot. Bonds7

About 2-[(1R)-1-aminoethyl]-N-(2-ethoxyethyl)-N-ethylaniline

2-[(1R)-1-aminoethyl]-N-(2-ethoxyethyl)-N-ethylaniline (PubChem CID 63697735) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-N-(2-ethoxyethyl)-N-ethylaniline.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-N-(2-ethoxyethyl)-N-ethylaniline
PubChem CID63697735
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[(1R)-1-aminoethyl]-N-(2-ethoxyethyl)-N-ethylaniline
SMILESCCOCCN(CC)c1ccccc1[C@@H](C)N
InChIInChI=1S/C14H24N2O/c1-4-16(10-11-17-5-2)14-9-7-6-8-13(14)12(3)15/h6-9,12H,4-5,10-11,15H2,1-3H3/t12-/m1/s1
InChIKeyACBRCLBYQGJJMA-GFCCVEGCSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[2-[2-ethoxyethyl(ethyl)amino]phenyl]ethanol
CID 55226911
2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol
CID 78934890
2-(1-aminopropyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 112678005
2-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylpropyl)aniline
CID 78935741
2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 54989680
2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
CID 54987089
2-[2-(1-aminopropyl)-N-ethylanilino]ethanol
CID 112677936
2-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 55010759
2-(1-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)aniline
CID 55010184
N'-[2-[(1S)-1-aminoethyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 78935470
1-N,1-N-bis(2-ethoxyethyl)-1-phenylpropane-1,2-diamine
CID 82960381
4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2-methylaniline
CID 63795379

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]-N-(2-ethoxyethyl)-N-ethylaniline?
The IUPAC name of 2-[(1R)-1-aminoethyl]-N-(2-ethoxyethyl)-N-ethylaniline (CID 63697735) is 2-[(1R)-1-aminoethyl]-N-(2-ethoxyethyl)-N-ethylaniline.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-N-(2-ethoxyethyl)-N-ethylaniline?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-N-(2-ethoxyethyl)-N-ethylaniline is CCOCCN(CC)c1ccccc1[C@@H](C)N.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-N-(2-ethoxyethyl)-N-ethylaniline?
The InChIKey is ACBRCLBYQGJJMA-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-16(10-11-17-5-2)14-9-7-6-8-13(14)12(3)15/h6-9,12H,4-5,10-11,15H2,1-3H3/t12-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-N-(2-ethoxyethyl)-N-ethylaniline?
2-[(1R)-1-aminoethyl]-N-(2-ethoxyethyl)-N-ethylaniline has a molecular weight of 236.36 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoethyl]-N-(2-ethoxyethyl)-N-ethylaniline is sourced from PubChem (CID 63697735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).