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

C15H18FNO — CID 83175905

IUPACN-ethyl-1-(3-fluorophenyl)-3-(furan-3-yl)propan-2-amine
SMILESCCNC(Cc1ccoc1)Cc1cccc(F)c1
InChIInChI=1S/C15H18FNO/c1-2-17-15(10-13-6-7-18-11-13)9-12-4-3-5-14(16)8-12/h3-8,11,15,17H,2,9-10H2,1H3
InChIKeyURWJQJICONNWEY-UHFFFAOYSA-N
MW247.31 g/mol
LogP3.18
Rot. Bonds6

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

N-ethyl-1-(3-fluorophenyl)-3-(furan-3-yl)propan-2-amine (PubChem CID 83175905) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is N-ethyl-1-(3-fluorophenyl)-3-(furan-3-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluorophenyl)-3-(furan-3-yl)propan-2-amine
PubChem CID83175905
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC NameN-ethyl-1-(3-fluorophenyl)-3-(furan-3-yl)propan-2-amine
SMILESCCNC(Cc1ccoc1)Cc1cccc(F)c1
InChIInChI=1S/C15H18FNO/c1-2-17-15(10-13-6-7-18-11-13)9-12-4-3-5-14(16)8-12/h3-8,11,15,17H,2,9-10H2,1H3
InChIKeyURWJQJICONNWEY-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(furan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 83178380
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(furan-3-yl)propan-2-amine
CID 83175253
2-[(3-fluorophenyl)methyl]-3-(furan-3-yl)-N-methylpropan-1-amine
CID 83182297
1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 60819525
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 79699790
N-ethyl-1-(3-fluorophenyl)-6-methylheptan-2-amine
CID 83161562
2-N-ethyl-3-(3-fluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093303
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 107884568
N-ethyl-1-(3-fluorophenyl)-3-thiophen-3-ylpropan-2-amine
CID 62602151
N-ethyl-1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62126115
N-ethyl-1-(3-fluorophenyl)-4-methylhexan-2-amine
CID 62602319
1-(5-chloro-2-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 103048515

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluorophenyl)-3-(furan-3-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-(3-fluorophenyl)-3-(furan-3-yl)propan-2-amine (CID 83175905) is N-ethyl-1-(3-fluorophenyl)-3-(furan-3-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-fluorophenyl)-3-(furan-3-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-(3-fluorophenyl)-3-(furan-3-yl)propan-2-amine is CCNC(Cc1ccoc1)Cc1cccc(F)c1.
What is the InChIKey of N-ethyl-1-(3-fluorophenyl)-3-(furan-3-yl)propan-2-amine?
The InChIKey is URWJQJICONNWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-2-17-15(10-13-6-7-18-11-13)9-12-4-3-5-14(16)8-12/h3-8,11,15,17H,2,9-10H2,1H3.
What are the key properties of N-ethyl-1-(3-fluorophenyl)-3-(furan-3-yl)propan-2-amine?
N-ethyl-1-(3-fluorophenyl)-3-(furan-3-yl)propan-2-amine has a molecular weight of 247.31 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluorophenyl)-3-(furan-3-yl)propan-2-amine is sourced from PubChem (CID 83175905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).