(1R)-1-(2-fluorophenyl)-N-(furan-3-ylmethyl)ethanamine

C13H14FNO — CID 81379853

IUPAC(1R)-1-(2-fluorophenyl)-N-(furan-3-ylmethyl)ethanamine
SMILESC[C@@H](NCc1ccoc1)c1ccccc1F
InChIInChI=1S/C13H14FNO/c1-10(12-4-2-3-5-13(12)14)15-8-11-6-7-16-9-11/h2-7,9-10,15H,8H2,1H3/t10-/m1/s1
InChIKeyDITUZRSWHMGJLK-SNVBAGLBSA-N
MW219.26 g/mol
LogP3.27
Rot. Bonds4

About (1R)-1-(2-fluorophenyl)-N-(furan-3-ylmethyl)ethanamine

(1R)-1-(2-fluorophenyl)-N-(furan-3-ylmethyl)ethanamine (PubChem CID 81379853) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is (1R)-1-(2-fluorophenyl)-N-(furan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-fluorophenyl)-N-(furan-3-ylmethyl)ethanamine
PubChem CID81379853
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name(1R)-1-(2-fluorophenyl)-N-(furan-3-ylmethyl)ethanamine
SMILESC[C@@H](NCc1ccoc1)c1ccccc1F
InChIInChI=1S/C13H14FNO/c1-10(12-4-2-3-5-13(12)14)15-8-11-6-7-16-9-11/h2-7,9-10,15H,8H2,1H3/t10-/m1/s1
InChIKeyDITUZRSWHMGJLK-SNVBAGLBSA-N
XLogP3.27
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63051050
N-[(4-bromophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659010
1-(2,6-difluorophenyl)-N-(furan-3-ylmethyl)propan-2-amine
CID 63000728
N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 63646240
N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659047
N-ethyl-1-(2-fluorophenyl)-2-(furan-3-yl)ethanamine
CID 83175625
(1R)-1-(2-fluorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine
CID 81380322
4-[[1-(2-fluorophenyl)ethylamino]methyl]benzene-1,2-diol
CID 60664100
1-(2-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 60928300
2-bromo-4-[[1-(2-fluorophenyl)ethylamino]methyl]phenol
CID 55025832
N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 114452647
1-(2-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 62997398

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluorophenyl)-N-(furan-3-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(2-fluorophenyl)-N-(furan-3-ylmethyl)ethanamine (CID 81379853) is (1R)-1-(2-fluorophenyl)-N-(furan-3-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(2-fluorophenyl)-N-(furan-3-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(2-fluorophenyl)-N-(furan-3-ylmethyl)ethanamine is C[C@@H](NCc1ccoc1)c1ccccc1F.
What is the InChIKey of (1R)-1-(2-fluorophenyl)-N-(furan-3-ylmethyl)ethanamine?
The InChIKey is DITUZRSWHMGJLK-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14FNO/c1-10(12-4-2-3-5-13(12)14)15-8-11-6-7-16-9-11/h2-7,9-10,15H,8H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-(2-fluorophenyl)-N-(furan-3-ylmethyl)ethanamine?
(1R)-1-(2-fluorophenyl)-N-(furan-3-ylmethyl)ethanamine has a molecular weight of 219.26 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluorophenyl)-N-(furan-3-ylmethyl)ethanamine is sourced from PubChem (CID 81379853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).