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

C15H18FNO — CID 83182511

IUPACN-ethyl-2-(3-fluorophenyl)-3-(furan-3-yl)propan-1-amine
SMILESCCNCC(Cc1ccoc1)c1cccc(F)c1
InChIInChI=1S/C15H18FNO/c1-2-17-10-14(8-12-6-7-18-11-12)13-4-3-5-15(16)9-13/h3-7,9,11,14,17H,2,8,10H2,1H3
InChIKeyPEJSVBRXSTZJGM-UHFFFAOYSA-N
MW247.31 g/mol
LogP3.35
Rot. Bonds6

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

N-ethyl-2-(3-fluorophenyl)-3-(furan-3-yl)propan-1-amine (PubChem CID 83182511) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is N-ethyl-2-(3-fluorophenyl)-3-(furan-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-fluorophenyl)-3-(furan-3-yl)propan-1-amine
PubChem CID83182511
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC NameN-ethyl-2-(3-fluorophenyl)-3-(furan-3-yl)propan-1-amine
SMILESCCNCC(Cc1ccoc1)c1cccc(F)c1
InChIInChI=1S/C15H18FNO/c1-2-17-10-14(8-12-6-7-18-11-12)13-4-3-5-15(16)9-13/h3-7,9,11,14,17H,2,8,10H2,1H3
InChIKeyPEJSVBRXSTZJGM-UHFFFAOYSA-N
XLogP3.35
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(3-fluorophenyl)-3-(3-methylphenyl)propan-1-amine
CID 79440444
3-(3-bromophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
CID 79440215
2-[(3-fluorophenyl)methyl]-3-(furan-3-yl)-N-methylpropan-1-amine
CID 83182297
1-(3-fluorophenyl)-2-(furan-3-yl)ethanol
CID 83171476
N-ethyl-2-(3-fluorophenyl)-5-methylhexan-1-amine
CID 79440289
N-ethyl-2-(3-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871673
N-ethyl-1-(3-fluorophenyl)-3-(furan-3-yl)propan-2-amine
CID 83175905
3-(3,5-difluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 105408371
3-(4-chloro-2-fluorophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
CID 114858835
3-(furan-3-yl)-N-(2-methoxyethyl)-2-(3-methylphenyl)propan-1-amine
CID 83183304
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(furan-3-yl)propan-2-amine
CID 83175253
3-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine
CID 79440300

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-fluorophenyl)-3-(furan-3-yl)propan-1-amine?
The IUPAC name of N-ethyl-2-(3-fluorophenyl)-3-(furan-3-yl)propan-1-amine (CID 83182511) is N-ethyl-2-(3-fluorophenyl)-3-(furan-3-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-(3-fluorophenyl)-3-(furan-3-yl)propan-1-amine?
The canonical SMILES for N-ethyl-2-(3-fluorophenyl)-3-(furan-3-yl)propan-1-amine is CCNCC(Cc1ccoc1)c1cccc(F)c1.
What is the InChIKey of N-ethyl-2-(3-fluorophenyl)-3-(furan-3-yl)propan-1-amine?
The InChIKey is PEJSVBRXSTZJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-2-17-10-14(8-12-6-7-18-11-12)13-4-3-5-15(16)9-13/h3-7,9,11,14,17H,2,8,10H2,1H3.
What are the key properties of N-ethyl-2-(3-fluorophenyl)-3-(furan-3-yl)propan-1-amine?
N-ethyl-2-(3-fluorophenyl)-3-(furan-3-yl)propan-1-amine has a molecular weight of 247.31 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-fluorophenyl)-3-(furan-3-yl)propan-1-amine is sourced from PubChem (CID 83182511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).