2-[(2-chloro-6-fluorophenyl)methyl-prop-2-enylamino]ethanol

C12H15ClFNO — CID 115631698

IUPAC2-[(2-chloro-6-fluorophenyl)methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H15ClFNO/c1-2-6-15(7-8-16)9-10-11(13)4-3-5-12(10)14/h2-5,16H,1,6-9H2
InChIKeyVZMQYAYUMVLTKJ-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.46
Rot. Bonds6

About 2-[(2-chloro-6-fluorophenyl)methyl-prop-2-enylamino]ethanol

2-[(2-chloro-6-fluorophenyl)methyl-prop-2-enylamino]ethanol (PubChem CID 115631698) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl-prop-2-enylamino]ethanol
PubChem CID115631698
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H15ClFNO/c1-2-6-15(7-8-16)9-10-11(13)4-3-5-12(10)14/h2-5,16H,1,6-9H2
InChIKeyVZMQYAYUMVLTKJ-UHFFFAOYSA-N
XLogP2.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.46
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-[(2,6-difluorophenyl)methyl-prop-2-enylamino]ethanol
CID 115883250
2-[(2,5-dichlorophenyl)methyl-prop-2-enylamino]ethanol
CID 115647773
2-[(2-chloro-6-fluorophenyl)methyl-pentan-3-ylamino]ethanol
CID 62016261
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylethanamine
CID 63387036
2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol
CID 115633493
2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl-prop-2-enylamino]ethanol
CID 115631731
2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol
CID 111423251
2-[(2-chloro-4-methoxyphenyl)methyl-prop-2-enylamino]ethanol
CID 111824360
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
2-[1,2-oxazol-5-ylmethyl(prop-2-enyl)amino]ethanol
CID 115631668
2-[benzyl-[(3R)-4-(2-chloro-6-fluorophenyl)-3-phenylbutyl]amino]ethanol;methanol
CID 143010756
N-(2-bromoethyl)-N-[(2-chloro-6-fluorophenyl)methyl]cyclopentanamine
CID 80673133

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-prop-2-enylamino]ethanol?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-prop-2-enylamino]ethanol (CID 115631698) is 2-[(2-chloro-6-fluorophenyl)methyl-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl-prop-2-enylamino]ethanol is C=CCN(CCO)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl-prop-2-enylamino]ethanol?
The InChIKey is VZMQYAYUMVLTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-2-6-15(7-8-16)9-10-11(13)4-3-5-12(10)14/h2-5,16H,1,6-9H2.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl-prop-2-enylamino]ethanol?
2-[(2-chloro-6-fluorophenyl)methyl-prop-2-enylamino]ethanol has a molecular weight of 243.71 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl-prop-2-enylamino]ethanol is sourced from PubChem (CID 115631698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).