1-(3-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine

C15H18FNO — CID 104979819

IUPAC1-(3-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
SMILESCC(Cc1cccc(F)c1)N[C@H](C)c1ccco1
InChIInChI=1S/C15H18FNO/c1-11(9-13-5-3-6-14(16)10-13)17-12(2)15-7-4-8-18-15/h3-8,10-12,17H,9H2,1-2H3/t11?,12-/m1/s1
InChIKeyPONXUFMAFNUZFQ-PIJUOVFKSA-N
MW247.31 g/mol
LogP3.70
Rot. Bonds5

About 1-(3-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine

1-(3-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine (PubChem CID 104979819) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
PubChem CID104979819
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name1-(3-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
SMILESCC(Cc1cccc(F)c1)N[C@H](C)c1ccco1
InChIInChI=1S/C15H18FNO/c1-11(9-13-5-3-6-14(16)10-13)17-12(2)15-7-4-8-18-15/h3-8,10-12,17H,9H2,1-2H3/t11?,12-/m1/s1
InChIKeyPONXUFMAFNUZFQ-PIJUOVFKSA-N
XLogP3.70
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine
CID 104979722
1-(3-fluorophenyl)-N-(furan-2-ylmethyl)propan-2-amine
CID 115634120
1-(3-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine
CID 104979728
4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]propyl]phenol
CID 115494501
2-[1-chloro-2-(3-fluorophenyl)ethyl]furan
CID 63016663
N-[1-(2-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114828576
N-[1-(3-chlorophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114828300
N-[1-(furan-2-yl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 54864150
2-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylpentan-1-ol
CID 115712077
(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
CID 104926148
N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114830222
N-[1-(3-fluorophenyl)propan-2-yl]-1-methoxybutan-2-amine
CID 115722358

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine (CID 104979819) is 1-(3-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine is CC(Cc1cccc(F)c1)N[C@H](C)c1ccco1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine?
The InChIKey is PONXUFMAFNUZFQ-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H18FNO/c1-11(9-13-5-3-6-14(16)10-13)17-12(2)15-7-4-8-18-15/h3-8,10-12,17H,9H2,1-2H3/t11?,12-/m1/s1.
What are the key properties of 1-(3-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine?
1-(3-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine has a molecular weight of 247.31 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 104979819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).