2-[4-[(cyclopropylamino)methyl]-N-methylanilino]ethanol

C13H20N2O — CID 60657574

IUPAC2-[4-[(cyclopropylamino)methyl]-N-methylanilino]ethanol
SMILESCN(CCO)c1ccc(CNC2CC2)cc1
InChIInChI=1S/C13H20N2O/c1-15(8-9-16)13-6-2-11(3-7-13)10-14-12-4-5-12/h2-3,6-7,12,14,16H,4-5,8-10H2,1H3
InChIKeyCAVQLXLSVJRPSI-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.37
Rot. Bonds6

About 2-[4-[(cyclopropylamino)methyl]-N-methylanilino]ethanol

2-[4-[(cyclopropylamino)methyl]-N-methylanilino]ethanol (PubChem CID 60657574) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[4-[(cyclopropylamino)methyl]-N-methylanilino]ethanol.

Molecular Properties

Compound Name2-[4-[(cyclopropylamino)methyl]-N-methylanilino]ethanol
PubChem CID60657574
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[4-[(cyclopropylamino)methyl]-N-methylanilino]ethanol
SMILESCN(CCO)c1ccc(CNC2CC2)cc1
InChIInChI=1S/C13H20N2O/c1-15(8-9-16)13-6-2-11(3-7-13)10-14-12-4-5-12/h2-3,6-7,12,14,16H,4-5,8-10H2,1H3
InChIKeyCAVQLXLSVJRPSI-UHFFFAOYSA-N
XLogP1.37
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-[4-[(cyclopropylamino)methyl]-N-methylanilino]pentan-1-ol
CID 107201217
2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]ethanol
CID 54879393
4-[[4-(dimethylamino)phenyl]methylamino]cyclohexan-1-ol
CID 43178531
N-[[4-(dimethylamino)phenyl]methyl]cyclooctanamine;hydrochloride
CID 17332385
N-[4-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 43280922
N-cyclopropyl-N'-methyl-N'-(4-propylphenyl)ethane-1,2-diamine
CID 115206831
2-[5-bromo-2-[(cyclopropylamino)methyl]-N-methylanilino]ethanol
CID 54879396
4-[[4-(hydroxymethyl)phenyl]methylamino]cyclohexan-1-ol
CID 107229822
[4-[[(4-aminocyclohexyl)amino]methyl]phenyl]methanol
CID 107229924
4-[[(3-ethylcyclopentyl)amino]methyl]-N,N-dimethylaniline
CID 64500811
N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methylpropyl)aniline
CID 55002084
N-[[4-[3-(dimethylamino)propoxymethyl]phenyl]methyl]cyclopropanamine
CID 62458464

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(cyclopropylamino)methyl]-N-methylanilino]ethanol?
The IUPAC name of 2-[4-[(cyclopropylamino)methyl]-N-methylanilino]ethanol (CID 60657574) is 2-[4-[(cyclopropylamino)methyl]-N-methylanilino]ethanol.
What is the SMILES notation for 2-[4-[(cyclopropylamino)methyl]-N-methylanilino]ethanol?
The canonical SMILES for 2-[4-[(cyclopropylamino)methyl]-N-methylanilino]ethanol is CN(CCO)c1ccc(CNC2CC2)cc1.
What is the InChIKey of 2-[4-[(cyclopropylamino)methyl]-N-methylanilino]ethanol?
The InChIKey is CAVQLXLSVJRPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15(8-9-16)13-6-2-11(3-7-13)10-14-12-4-5-12/h2-3,6-7,12,14,16H,4-5,8-10H2,1H3.
What are the key properties of 2-[4-[(cyclopropylamino)methyl]-N-methylanilino]ethanol?
2-[4-[(cyclopropylamino)methyl]-N-methylanilino]ethanol has a molecular weight of 220.32 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(cyclopropylamino)methyl]-N-methylanilino]ethanol is sourced from PubChem (CID 60657574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).