(1R)-1-(5-cyclopropyl-2-fluorophenyl)ethanamine

C11H14FN — CID 170449741

IUPAC(1R)-1-(5-cyclopropyl-2-fluorophenyl)ethanamine
SMILESC[C@@H](N)c1cc(C2CC2)ccc1F
InChIInChI=1S/C11H14FN/c1-7(13)10-6-9(8-2-3-8)4-5-11(10)12/h4-8H,2-3,13H2,1H3/t7-/m1/s1
InChIKeyRKQNBBOJFPOEFO-SSDOTTSWSA-N
MW179.24 g/mol
LogP2.72
Rot. Bonds2

About (1R)-1-(5-cyclopropyl-2-fluorophenyl)ethanamine

(1R)-1-(5-cyclopropyl-2-fluorophenyl)ethanamine (PubChem CID 170449741) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is (1R)-1-(5-cyclopropyl-2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(5-cyclopropyl-2-fluorophenyl)ethanamine
PubChem CID170449741
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name(1R)-1-(5-cyclopropyl-2-fluorophenyl)ethanamine
SMILESC[C@@H](N)c1cc(C2CC2)ccc1F
InChIInChI=1S/C11H14FN/c1-7(13)10-6-9(8-2-3-8)4-5-11(10)12/h4-8H,2-3,13H2,1H3/t7-/m1/s1
InChIKeyRKQNBBOJFPOEFO-SSDOTTSWSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072344
(S)-N-[(1R)-1-(5-cyclopropyl-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 170942635
4-cyclopropyl-2-fluoro-1-methylbenzene;ethane
CID 177038852
(1S)-1-(2-fluoro-5-iodophenyl)ethanamine
CID 131032773
1-(4-cyclopropylphenyl)ethanamine
CID 55211304
1-(5-tert-butyl-2-fluorophenyl)ethanamine
CID 83988556
3-(4-fluoro-3-propan-2-ylphenyl)-N-methylcyclobutan-1-amine
CID 156864641
(1S)-N-(tert-butylsulfinylmethyl)-1-(5-cyclopropyl-2-fluorophenyl)ethanamine
CID 134602217
(5-cyclopropyl-2-fluorophenyl)methanamine
CID 62490322
[3-(1-aminoethyl)-4-fluorophenyl]methanol
CID 55283216

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-cyclopropyl-2-fluorophenyl)ethanamine?
The IUPAC name of (1R)-1-(5-cyclopropyl-2-fluorophenyl)ethanamine (CID 170449741) is (1R)-1-(5-cyclopropyl-2-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-1-(5-cyclopropyl-2-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-1-(5-cyclopropyl-2-fluorophenyl)ethanamine is C[C@@H](N)c1cc(C2CC2)ccc1F.
What is the InChIKey of (1R)-1-(5-cyclopropyl-2-fluorophenyl)ethanamine?
The InChIKey is RKQNBBOJFPOEFO-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14FN/c1-7(13)10-6-9(8-2-3-8)4-5-11(10)12/h4-8H,2-3,13H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-(5-cyclopropyl-2-fluorophenyl)ethanamine?
(1R)-1-(5-cyclopropyl-2-fluorophenyl)ethanamine has a molecular weight of 179.24 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-cyclopropyl-2-fluorophenyl)ethanamine is sourced from PubChem (CID 170449741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).