2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol

C13H19NO — CID 111423251

IUPAC2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1ccccc1C
InChIInChI=1S/C13H19NO/c1-3-8-14(9-10-15)11-13-7-5-4-6-12(13)2/h3-7,15H,1,8-11H2,2H3
InChIKeyRMIHDTQEIQSALB-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.98
Rot. Bonds6

About 2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol

2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol (PubChem CID 111423251) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol
PubChem CID111423251
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1ccccc1C
InChIInChI=1S/C13H19NO/c1-3-8-14(9-10-15)11-13-7-5-4-6-12(13)2/h3-7,15H,1,8-11H2,2H3
InChIKeyRMIHDTQEIQSALB-UHFFFAOYSA-N
XLogP1.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-hydroxyethyl-[(2-methylphenyl)methyl]amino]ethanol
CID 44719349
2-[(2-methoxyphenyl)methyl-prop-2-enylamino]ethanol
CID 115610796
2-[(2-methylphenyl)methyl-prop-2-enylamino]acetic acid
CID 39243977
2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl-prop-2-enylamino]ethanol
CID 115631725
N,N,N',N'-tetrakis[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 86028064
2,6-dimethoxy-4-[[(2-methylphenyl)methyl-prop-2-enylamino]methyl]phenol
CID 46993480
2-[(2,6-difluorophenyl)methyl-prop-2-enylamino]ethanol
CID 115883250
2-[(2,5-dichlorophenyl)methyl-prop-2-enylamino]ethanol
CID 115647773
2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanol
CID 115669656
2-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol
CID 111753096
(E)-4-[(2-methylphenyl)methyl-prop-2-enylamino]-4-oxobut-2-enoic acid
CID 39360082
2-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-6-methylpyridin-3-ol
CID 115883207

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol?
The IUPAC name of 2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol (CID 111423251) is 2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol is C=CCN(CCO)Cc1ccccc1C.
What is the InChIKey of 2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol?
The InChIKey is RMIHDTQEIQSALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-8-14(9-10-15)11-13-7-5-4-6-12(13)2/h3-7,15H,1,8-11H2,2H3.
What are the key properties of 2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol?
2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol has a molecular weight of 205.30 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol is sourced from PubChem (CID 111423251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).