2-(3-fluorophenyl)-1-(3-propan-2-yloxyphenyl)ethanamine

C17H20FNO — CID 62919131

IUPAC2-(3-fluorophenyl)-1-(3-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1cccc(C(N)Cc2cccc(F)c2)c1
InChIInChI=1S/C17H20FNO/c1-12(2)20-16-8-4-6-14(11-16)17(19)10-13-5-3-7-15(18)9-13/h3-9,11-12,17H,10,19H2,1-2H3
InChIKeyBWNQAHBEOBEUCU-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.86
Rot. Bonds5

About 2-(3-fluorophenyl)-1-(3-propan-2-yloxyphenyl)ethanamine

2-(3-fluorophenyl)-1-(3-propan-2-yloxyphenyl)ethanamine (PubChem CID 62919131) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(3-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(3-propan-2-yloxyphenyl)ethanamine
PubChem CID62919131
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-(3-fluorophenyl)-1-(3-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1cccc(C(N)Cc2cccc(F)c2)c1
InChIInChI=1S/C17H20FNO/c1-12(2)20-16-8-4-6-14(11-16)17(19)10-13-5-3-7-15(18)9-13/h3-9,11-12,17H,10,19H2,1-2H3
InChIKeyBWNQAHBEOBEUCU-UHFFFAOYSA-N
XLogP3.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride
CID 25032833
1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine
CID 54945902
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
1-(3-fluorophenyl)-2-phenylethanamine
CID 60818791
1-[1-chloro-2-(3-fluorophenyl)ethyl]-4-propan-2-yloxybenzene
CID 63432780
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738
[(3-fluorophenyl)-(3-propan-2-yloxyphenyl)methyl]hydrazine
CID 105193073
2-(3-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115795669
1-(3-propan-2-yloxyphenyl)pentan-1-amine
CID 79016250
2-(3-methylphenyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 62389400
1-[3-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-N-methylethanamine
CID 61065406
2-(3-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 79217792

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(3-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-1-(3-propan-2-yloxyphenyl)ethanamine (CID 62919131) is 2-(3-fluorophenyl)-1-(3-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(3-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-1-(3-propan-2-yloxyphenyl)ethanamine is CC(C)Oc1cccc(C(N)Cc2cccc(F)c2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(3-propan-2-yloxyphenyl)ethanamine?
The InChIKey is BWNQAHBEOBEUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12(2)20-16-8-4-6-14(11-16)17(19)10-13-5-3-7-15(18)9-13/h3-9,11-12,17H,10,19H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-1-(3-propan-2-yloxyphenyl)ethanamine?
2-(3-fluorophenyl)-1-(3-propan-2-yloxyphenyl)ethanamine has a molecular weight of 273.35 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(3-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 62919131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).