(1R)-1-[5-fluoro-2-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine

C16H26FN3 — CID 63368809

IUPAC(1R)-1-[5-fluoro-2-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine
SMILESCC(C)CN1CCN(c2ccc(F)cc2[C@@H](C)N)CC1
InChIInChI=1S/C16H26FN3/c1-12(2)11-19-6-8-20(9-7-19)16-5-4-14(17)10-15(16)13(3)18/h4-5,10,12-13H,6-9,11,18H2,1-3H3/t13-/m1/s1
InChIKeyROSSYGPTYXXBSN-CYBMUJFWSA-N
MW279.40 g/mol
LogP2.62
Rot. Bonds4

About (1R)-1-[5-fluoro-2-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine

(1R)-1-[5-fluoro-2-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine (PubChem CID 63368809) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is (1R)-1-[5-fluoro-2-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-fluoro-2-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine
PubChem CID63368809
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name(1R)-1-[5-fluoro-2-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine
SMILESCC(C)CN1CCN(c2ccc(F)cc2[C@@H](C)N)CC1
InChIInChI=1S/C16H26FN3/c1-12(2)11-19-6-8-20(9-7-19)16-5-4-14(17)10-15(16)13(3)18/h4-5,10,12-13H,6-9,11,18H2,1-3H3/t13-/m1/s1
InChIKeyROSSYGPTYXXBSN-CYBMUJFWSA-N
XLogP2.62
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(1-aminoethyl)-4-fluorophenyl]piperazin-1-yl]ethanol
CID 43592142
1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43188715
2-[4-[2-(1-aminoethyl)-4-fluorophenyl]-1,4-diazepan-1-yl]ethanol
CID 107223420
1-(2,5-difluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 107520830
5-fluoro-2-[4-(2-methylpropyl)piperazin-1-yl]benzoic acid
CID 62776916
(1R)-1-[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine
CID 63368739
ethyl 4-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]piperazine-1-carboxylate
CID 107877129
5-fluoro-N'-hydroxy-2-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
CID 77004304
(1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine
CID 78935771
1-[2-(1-aminoethyl)-4-fluorophenyl]pyrrolidine-3,4-diol
CID 106669964
(1R)-1-[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]ethanamine
CID 55215612
1-[3-bromo-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine
CID 62911018

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-fluoro-2-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine?
The IUPAC name of (1R)-1-[5-fluoro-2-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine (CID 63368809) is (1R)-1-[5-fluoro-2-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-fluoro-2-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[5-fluoro-2-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine is CC(C)CN1CCN(c2ccc(F)cc2[C@@H](C)N)CC1.
What is the InChIKey of (1R)-1-[5-fluoro-2-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine?
The InChIKey is ROSSYGPTYXXBSN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26FN3/c1-12(2)11-19-6-8-20(9-7-19)16-5-4-14(17)10-15(16)13(3)18/h4-5,10,12-13H,6-9,11,18H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-1-[5-fluoro-2-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine?
(1R)-1-[5-fluoro-2-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine has a molecular weight of 279.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-fluoro-2-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine is sourced from PubChem (CID 63368809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).