(1R)-N-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)ethanamine

C13H13F2NO — CID 81402970

IUPAC(1R)-N-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)ethanamine
SMILESC[C@@H](NCc1cc(F)ccc1F)c1ccco1
InChIInChI=1S/C13H13F2NO/c1-9(13-3-2-6-17-13)16-8-10-7-11(14)4-5-12(10)15/h2-7,9,16H,8H2,1H3/t9-/m1/s1
InChIKeyHTCCIWKKSKWWTD-SECBINFHSA-N
MW237.25 g/mol
LogP3.41
Rot. Bonds4

About (1R)-N-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)ethanamine

(1R)-N-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)ethanamine (PubChem CID 81402970) has the molecular formula C13H13F2NO and a molecular weight of 237.25 g/mol. Its IUPAC name is (1R)-N-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)ethanamine
PubChem CID81402970
Molecular FormulaC13H13F2NO
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name(1R)-N-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)ethanamine
SMILESC[C@@H](NCc1cc(F)ccc1F)c1ccco1
InChIInChI=1S/C13H13F2NO/c1-9(13-3-2-6-17-13)16-8-10-7-11(14)4-5-12(10)15/h2-7,9,16H,8H2,1H3/t9-/m1/s1
InChIKeyHTCCIWKKSKWWTD-SECBINFHSA-N
XLogP3.41
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluoro-2-methylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 62135238
N-[(4-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 43178684
(1R)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403419
N-[(2,5-difluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 43312742
1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43674183
(1S)-N-[(2,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403890
N'-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43312684
(1R)-N-[(2-bromo-5-chlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403407
(1S)-N-[(3-chloro-5-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 104928554
1-(3,4-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43680952
(1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402570
N-(2,5-difluorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8919204

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of (1R)-N-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)ethanamine (CID 81402970) is (1R)-N-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for (1R)-N-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for (1R)-N-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)ethanamine is C[C@@H](NCc1cc(F)ccc1F)c1ccco1.
What is the InChIKey of (1R)-N-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)ethanamine?
The InChIKey is HTCCIWKKSKWWTD-SECBINFHSA-N. The full InChI is InChI=1S/C13H13F2NO/c1-9(13-3-2-6-17-13)16-8-10-7-11(14)4-5-12(10)15/h2-7,9,16H,8H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-N-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)ethanamine?
(1R)-N-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)ethanamine has a molecular weight of 237.25 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 81402970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).