2-[[2-amino-1-(4-ethylphenyl)ethyl]-methylamino]ethanol

C13H22N2O — CID 112500855

IUPAC2-[[2-amino-1-(4-ethylphenyl)ethyl]-methylamino]ethanol
SMILESCCc1ccc(C(CN)N(C)CCO)cc1
InChIInChI=1S/C13H22N2O/c1-3-11-4-6-12(7-5-11)13(10-14)15(2)8-9-16/h4-7,13,16H,3,8-10,14H2,1-2H3
InChIKeyRCZUIOFPNLWBJL-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.17
Rot. Bonds6

About 2-[[2-amino-1-(4-ethylphenyl)ethyl]-methylamino]ethanol

2-[[2-amino-1-(4-ethylphenyl)ethyl]-methylamino]ethanol (PubChem CID 112500855) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[[2-amino-1-(4-ethylphenyl)ethyl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-1-(4-ethylphenyl)ethyl]-methylamino]ethanol
PubChem CID112500855
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[[2-amino-1-(4-ethylphenyl)ethyl]-methylamino]ethanol
SMILESCCc1ccc(C(CN)N(C)CCO)cc1
InChIInChI=1S/C13H22N2O/c1-3-11-4-6-12(7-5-11)13(10-14)15(2)8-9-16/h4-7,13,16H,3,8-10,14H2,1-2H3
InChIKeyRCZUIOFPNLWBJL-UHFFFAOYSA-N
XLogP1.17
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine
CID 61427466
2-[[2-amino-1-(4-nitrophenyl)ethyl]-methylamino]ethanol
CID 82041498
N-(cyclopropylmethyl)-1-(4-ethylphenyl)-N-methylethane-1,2-diamine
CID 54883872
1-(4-ethylphenyl)-N,N-dipropylethane-1,2-diamine
CID 16642716
N-ethyl-1-(4-ethylphenyl)-N-propylethane-1,2-diamine
CID 43268550
1-(4-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271043
1-(4-ethylphenyl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 63726473
5-[(2-amino-1-phenylethyl)-methylamino]pentan-1-ol
CID 107198422
3-[1-(4-ethylphenyl)propyl-methylamino]propanoic acid
CID 65063117
N-methyl-N-pentyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43294635
(2S)-2-(4-ethylphenyl)-2-fluoroethanamine
CID 129393037
(1S)-2-amino-1-(4-ethylphenyl)ethanol
CID 42182576

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(4-ethylphenyl)ethyl]-methylamino]ethanol?
The IUPAC name of 2-[[2-amino-1-(4-ethylphenyl)ethyl]-methylamino]ethanol (CID 112500855) is 2-[[2-amino-1-(4-ethylphenyl)ethyl]-methylamino]ethanol.
What is the SMILES notation for 2-[[2-amino-1-(4-ethylphenyl)ethyl]-methylamino]ethanol?
The canonical SMILES for 2-[[2-amino-1-(4-ethylphenyl)ethyl]-methylamino]ethanol is CCc1ccc(C(CN)N(C)CCO)cc1.
What is the InChIKey of 2-[[2-amino-1-(4-ethylphenyl)ethyl]-methylamino]ethanol?
The InChIKey is RCZUIOFPNLWBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-11-4-6-12(7-5-11)13(10-14)15(2)8-9-16/h4-7,13,16H,3,8-10,14H2,1-2H3.
What are the key properties of 2-[[2-amino-1-(4-ethylphenyl)ethyl]-methylamino]ethanol?
2-[[2-amino-1-(4-ethylphenyl)ethyl]-methylamino]ethanol has a molecular weight of 222.33 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(4-ethylphenyl)ethyl]-methylamino]ethanol is sourced from PubChem (CID 112500855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).