6-(cyclopropylmethoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine

C17H19FN2O — CID 151372881

IUPAC6-(cyclopropylmethoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine
SMILESC[C@H](Nc1cccc(OCC2CC2)n1)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O/c1-12(14-7-9-15(18)10-8-14)19-16-3-2-4-17(20-16)21-11-13-5-6-13/h2-4,7-10,12-13H,5-6,11H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyOQUSDHWMHXONAF-LBPRGKRZSA-N
MW286.35 g/mol
LogP4.18
Rot. Bonds6

About 6-(cyclopropylmethoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine

6-(cyclopropylmethoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine (PubChem CID 151372881) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine
PubChem CID151372881
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name6-(cyclopropylmethoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine
SMILESC[C@H](Nc1cccc(OCC2CC2)n1)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O/c1-12(14-7-9-15(18)10-8-14)19-16-3-2-4-17(20-16)21-11-13-5-6-13/h2-4,7-10,12-13H,5-6,11H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyOQUSDHWMHXONAF-LBPRGKRZSA-N
XLogP4.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine?
The IUPAC name of 6-(cyclopropylmethoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine (CID 151372881) is 6-(cyclopropylmethoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 6-(cyclopropylmethoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 6-(cyclopropylmethoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine is C[C@H](Nc1cccc(OCC2CC2)n1)c1ccc(F)cc1.
What is the InChIKey of 6-(cyclopropylmethoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine?
The InChIKey is OQUSDHWMHXONAF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12(14-7-9-15(18)10-8-14)19-16-3-2-4-17(20-16)21-11-13-5-6-13/h2-4,7-10,12-13H,5-6,11H2,1H3,(H,19,20)/t12-/m0/s1.
What are the key properties of 6-(cyclopropylmethoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine?
6-(cyclopropylmethoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine has a molecular weight of 286.35 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 151372881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).