N-[1-(2,5-difluorophenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine

C15H17F2NO — CID 43674237

IUPACN-[1-(2,5-difluorophenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(C)NC(C)c2cc(F)ccc2F)o1
InChIInChI=1S/C15H17F2NO/c1-9-4-7-15(19-9)11(3)18-10(2)13-8-12(16)5-6-14(13)17/h4-8,10-11,18H,1-3H3
InChIKeyHZHMHTXSKVMNBG-UHFFFAOYSA-N
MW265.30 g/mol
LogP4.28
Rot. Bonds4

About N-[1-(2,5-difluorophenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine

N-[1-(2,5-difluorophenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine (PubChem CID 43674237) has the molecular formula C15H17F2NO and a molecular weight of 265.30 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
PubChem CID43674237
Molecular FormulaC15H17F2NO
Molecular Weight265.30 g/mol
Exact Mass265.13
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(C)NC(C)c2cc(F)ccc2F)o1
InChIInChI=1S/C15H17F2NO/c1-9-4-7-15(19-9)11(3)18-10(2)13-8-12(16)5-6-14(13)17/h4-8,10-11,18H,1-3H3
InChIKeyHZHMHTXSKVMNBG-UHFFFAOYSA-N
XLogP4.28
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43728739
5-fluoro-2-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]phenol
CID 63064633
1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674206
N-[1-(2,5-difluorophenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 43674222
1-(5-fluoro-2-pyridinyl)-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine
CID 83117358
N-[(2,5-difluorophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 43495625
1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674233
N-[1-(2,5-difluorophenyl)ethyl]-1-(4-iodophenyl)ethanamine
CID 43779230
(1S)-1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 81383317
N-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 43693054
(2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol
CID 93082624
N-[1-(2,5-difluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43674172

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine (CID 43674237) is N-[1-(2,5-difluorophenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine is Cc1ccc(C(C)NC(C)c2cc(F)ccc2F)o1.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine?
The InChIKey is HZHMHTXSKVMNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO/c1-9-4-7-15(19-9)11(3)18-10(2)13-8-12(16)5-6-14(13)17/h4-8,10-11,18H,1-3H3.
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine?
N-[1-(2,5-difluorophenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine has a molecular weight of 265.30 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 43674237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).