N-ethyl-1-(3-fluorophenyl)propan-2-amine

C11H16FN — CID 57458869

IUPACN-ethyl-1-(3-fluorophenyl)propan-2-amine
SMILESCCNC(C)Cc1cccc(F)c1
InChIInChI=1S/C11H16FN/c1-3-13-9(2)7-10-5-4-6-11(12)8-10/h4-6,8-9,13H,3,7H2,1-2H3
InChIKeyCKPWHLGHHXSVJI-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.37
Rot. Bonds4

About N-ethyl-1-(3-fluorophenyl)propan-2-amine

N-ethyl-1-(3-fluorophenyl)propan-2-amine (PubChem CID 57458869) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is N-ethyl-1-(3-fluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluorophenyl)propan-2-amine
PubChem CID57458869
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC NameN-ethyl-1-(3-fluorophenyl)propan-2-amine
SMILESCCNC(C)Cc1cccc(F)c1
InChIInChI=1S/C11H16FN/c1-3-13-9(2)7-10-5-4-6-11(12)8-10/h4-6,8-9,13H,3,7H2,1-2H3
InChIKeyCKPWHLGHHXSVJI-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluorophenyl)propan-2-amine?
The IUPAC name of N-ethyl-1-(3-fluorophenyl)propan-2-amine (CID 57458869) is N-ethyl-1-(3-fluorophenyl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-fluorophenyl)propan-2-amine?
The canonical SMILES for N-ethyl-1-(3-fluorophenyl)propan-2-amine is CCNC(C)Cc1cccc(F)c1.
What is the InChIKey of N-ethyl-1-(3-fluorophenyl)propan-2-amine?
The InChIKey is CKPWHLGHHXSVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-3-13-9(2)7-10-5-4-6-11(12)8-10/h4-6,8-9,13H,3,7H2,1-2H3.
What are the key properties of N-ethyl-1-(3-fluorophenyl)propan-2-amine?
N-ethyl-1-(3-fluorophenyl)propan-2-amine has a molecular weight of 181.25 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluorophenyl)propan-2-amine is sourced from PubChem (CID 57458869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).