2-[[2-amino-1-(2-methylphenyl)ethyl]-propylamino]ethanol

C14H24N2O — CID 55018185

IUPAC2-[[2-amino-1-(2-methylphenyl)ethyl]-propylamino]ethanol
SMILESCCCN(CCO)C(CN)c1ccccc1C
InChIInChI=1S/C14H24N2O/c1-3-8-16(9-10-17)14(11-15)13-7-5-4-6-12(13)2/h4-7,14,17H,3,8-11,15H2,1-2H3
InChIKeyKGVKAEHGGFFOJU-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.70
Rot. Bonds7

About 2-[[2-amino-1-(2-methylphenyl)ethyl]-propylamino]ethanol

2-[[2-amino-1-(2-methylphenyl)ethyl]-propylamino]ethanol (PubChem CID 55018185) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[[2-amino-1-(2-methylphenyl)ethyl]-propylamino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-1-(2-methylphenyl)ethyl]-propylamino]ethanol
PubChem CID55018185
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[[2-amino-1-(2-methylphenyl)ethyl]-propylamino]ethanol
SMILESCCCN(CCO)C(CN)c1ccccc1C
InChIInChI=1S/C14H24N2O/c1-3-8-16(9-10-17)14(11-15)13-7-5-4-6-12(13)2/h4-7,14,17H,3,8-11,15H2,1-2H3
InChIKeyKGVKAEHGGFFOJU-UHFFFAOYSA-N
XLogP1.70
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N,N-diethyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 93489617
1-(2-ethylphenyl)-N,N-dipropylethane-1,2-diamine
CID 62390733
2-[[2-amino-1-(2-methylphenyl)ethyl]-(cyanomethyl)amino]acetonitrile
CID 55018035
2-[[2-amino-1-(2-methylphenyl)ethyl]-(2-methylpropyl)amino]acetamide
CID 55018380
N-(3,5-dimethylphenyl)-N-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 62004079
2,2-dimethyl-N'-[1-(2-methylphenyl)ethyl]-N'-propylpropane-1,3-diamine
CID 79668294
3-[[2-amino-1-(2-chlorophenyl)ethyl]-ethylamino]propan-1-ol
CID 113468616
1-[2-(difluoromethoxy)phenyl]-N-ethyl-N-propylethane-1,2-diamine
CID 43268646
2-[[2-amino-1-(2-chlorophenyl)ethyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478830
2-[2-amino-1-[bis(2-methoxyethyl)amino]ethyl]phenol
CID 82042898
2-[[2-amino-1-(4-fluorophenyl)ethyl]-butylamino]ethanol
CID 55016257
1-(2,6-difluorophenyl)-N,N-dipropylethane-1,2-diamine
CID 16794999

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(2-methylphenyl)ethyl]-propylamino]ethanol?
The IUPAC name of 2-[[2-amino-1-(2-methylphenyl)ethyl]-propylamino]ethanol (CID 55018185) is 2-[[2-amino-1-(2-methylphenyl)ethyl]-propylamino]ethanol.
What is the SMILES notation for 2-[[2-amino-1-(2-methylphenyl)ethyl]-propylamino]ethanol?
The canonical SMILES for 2-[[2-amino-1-(2-methylphenyl)ethyl]-propylamino]ethanol is CCCN(CCO)C(CN)c1ccccc1C.
What is the InChIKey of 2-[[2-amino-1-(2-methylphenyl)ethyl]-propylamino]ethanol?
The InChIKey is KGVKAEHGGFFOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-8-16(9-10-17)14(11-15)13-7-5-4-6-12(13)2/h4-7,14,17H,3,8-11,15H2,1-2H3.
What are the key properties of 2-[[2-amino-1-(2-methylphenyl)ethyl]-propylamino]ethanol?
2-[[2-amino-1-(2-methylphenyl)ethyl]-propylamino]ethanol has a molecular weight of 236.36 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(2-methylphenyl)ethyl]-propylamino]ethanol is sourced from PubChem (CID 55018185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).