(1R)-1-(2-fluorophenyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]ethanamine

C15H20FN3 — CID 81380918

IUPAC(1R)-1-(2-fluorophenyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]ethanamine
SMILESCC(C)n1ccc(CN[C@H](C)c2ccccc2F)n1
InChIInChI=1S/C15H20FN3/c1-11(2)19-9-8-13(18-19)10-17-12(3)14-6-4-5-7-15(14)16/h4-9,11-12,17H,10H2,1-3H3/t12-/m1/s1
InChIKeySFULHOCSOPRNLA-GFCCVEGCSA-N
MW261.34 g/mol
LogP3.45
Rot. Bonds5

About (1R)-1-(2-fluorophenyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]ethanamine

(1R)-1-(2-fluorophenyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]ethanamine (PubChem CID 81380918) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is (1R)-1-(2-fluorophenyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-fluorophenyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]ethanamine
PubChem CID81380918
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name(1R)-1-(2-fluorophenyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]ethanamine
SMILESCC(C)n1ccc(CN[C@H](C)c2ccccc2F)n1
InChIInChI=1S/C15H20FN3/c1-11(2)19-9-8-13(18-19)10-17-12(3)14-6-4-5-7-15(14)16/h4-9,11-12,17H,10H2,1-3H3/t12-/m1/s1
InChIKeySFULHOCSOPRNLA-GFCCVEGCSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-fluorophenyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)ethanamine
CID 81379921
N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659047
1-(2-fluorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708851
N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64771079
1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78920967
2-bromo-6-fluoro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 103741861
1-(2-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 60927610
1-(2-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63051050
3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanenitrile
CID 28728329
1-iodo-3-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-2-amine
CID 107859366
(1R)-1-(2-fluorophenyl)-N-(furan-3-ylmethyl)ethanamine
CID 81379853
2-phenyl-2-[(1-propan-2-ylpyrazol-3-yl)methylamino]acetic acid
CID 64772221

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluorophenyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(2-fluorophenyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]ethanamine (CID 81380918) is (1R)-1-(2-fluorophenyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(2-fluorophenyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(2-fluorophenyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]ethanamine is CC(C)n1ccc(CN[C@H](C)c2ccccc2F)n1.
What is the InChIKey of (1R)-1-(2-fluorophenyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is SFULHOCSOPRNLA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20FN3/c1-11(2)19-9-8-13(18-19)10-17-12(3)14-6-4-5-7-15(14)16/h4-9,11-12,17H,10H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-(2-fluorophenyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]ethanamine?
(1R)-1-(2-fluorophenyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 261.34 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluorophenyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 81380918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).