2-(2-aminoethylamino)-1-(3-methylphenyl)ethanol

C11H18N2O — CID 21482954

IUPAC2-(2-aminoethylamino)-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(O)CNCCN)c1
InChIInChI=1S/C11H18N2O/c1-9-3-2-4-10(7-9)11(14)8-13-6-5-12/h2-4,7,11,13-14H,5-6,8,12H2,1H3
InChIKeySWTSQEOZOFLLTB-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.58
Rot. Bonds5

About 2-(2-aminoethylamino)-1-(3-methylphenyl)ethanol

2-(2-aminoethylamino)-1-(3-methylphenyl)ethanol (PubChem CID 21482954) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-1-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-aminoethylamino)-1-(3-methylphenyl)ethanol
PubChem CID21482954
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(2-aminoethylamino)-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(O)CNCCN)c1
InChIInChI=1S/C11H18N2O/c1-9-3-2-4-10(7-9)11(14)8-13-6-5-12/h2-4,7,11,13-14H,5-6,8,12H2,1H3
InChIKeySWTSQEOZOFLLTB-UHFFFAOYSA-N
XLogP0.58
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylphenyl)-2-(propylamino)ethanol
CID 62774312
2-[2-(dimethylamino)ethylamino]-1-(3-methylphenyl)ethanol
CID 112501466
2-[4-[2-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]ethoxy]phenyl]acetamide
CID 54157516
2-(cyclopropylamino)-1-(3-methylphenyl)ethanol
CID 62774704
5-[2-(2-aminoethylamino)-1-hydroxyethyl]benzene-1,3-diol
CID 110176309
(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol
CID 51681134
2-(2-aminoethylamino)-1-pyridin-4-ylethanol
CID 21482923
N'-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]ethanimidamide
CID 126487884
1-(3-methylphenyl)decan-1-ol
CID 63411280
1-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]ethanol
CID 23322163
(1R)-1-(3-methylphenyl)-2-[(6-methyl-2-pyridinyl)amino]ethanol
CID 99704551
2-(1-cyclopropylethylamino)-1-(3-methylphenyl)ethanol
CID 115894712

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-1-(3-methylphenyl)ethanol?
The IUPAC name of 2-(2-aminoethylamino)-1-(3-methylphenyl)ethanol (CID 21482954) is 2-(2-aminoethylamino)-1-(3-methylphenyl)ethanol.
What is the SMILES notation for 2-(2-aminoethylamino)-1-(3-methylphenyl)ethanol?
The canonical SMILES for 2-(2-aminoethylamino)-1-(3-methylphenyl)ethanol is Cc1cccc(C(O)CNCCN)c1.
What is the InChIKey of 2-(2-aminoethylamino)-1-(3-methylphenyl)ethanol?
The InChIKey is SWTSQEOZOFLLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9-3-2-4-10(7-9)11(14)8-13-6-5-12/h2-4,7,11,13-14H,5-6,8,12H2,1H3.
What are the key properties of 2-(2-aminoethylamino)-1-(3-methylphenyl)ethanol?
2-(2-aminoethylamino)-1-(3-methylphenyl)ethanol has a molecular weight of 194.28 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-1-(3-methylphenyl)ethanol is sourced from PubChem (CID 21482954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).