2-[(2-fluorophenyl)methyl-propan-2-ylamino]ethanol

C12H18FNO — CID 60690948

IUPAC2-[(2-fluorophenyl)methyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)Cc1ccccc1F
InChIInChI=1S/C12H18FNO/c1-10(2)14(7-8-15)9-11-5-3-4-6-12(11)13/h3-6,10,15H,7-9H2,1-2H3
InChIKeyDGHSBLOJBPHHLJ-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.03
Rot. Bonds5

About 2-[(2-fluorophenyl)methyl-propan-2-ylamino]ethanol

2-[(2-fluorophenyl)methyl-propan-2-ylamino]ethanol (PubChem CID 60690948) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-propan-2-ylamino]ethanol
PubChem CID60690948
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-[(2-fluorophenyl)methyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)Cc1ccccc1F
InChIInChI=1S/C12H18FNO/c1-10(2)14(7-8-15)9-11-5-3-4-6-12(11)13/h3-6,10,15H,7-9H2,1-2H3
InChIKeyDGHSBLOJBPHHLJ-UHFFFAOYSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[(2-fluorophenyl)methyl-propan-2-ylamino]ethanol (CID 60690948) is 2-[(2-fluorophenyl)methyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-propan-2-ylamino]ethanol is CC(C)N(CCO)Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-propan-2-ylamino]ethanol?
The InChIKey is DGHSBLOJBPHHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-10(2)14(7-8-15)9-11-5-3-4-6-12(11)13/h3-6,10,15H,7-9H2,1-2H3.
What are the key properties of 2-[(2-fluorophenyl)methyl-propan-2-ylamino]ethanol?
2-[(2-fluorophenyl)methyl-propan-2-ylamino]ethanol has a molecular weight of 211.28 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 60690948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).