(2S)-1-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine

C15H16F2N2O — CID 97321622

IUPAC(2S)-1-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine
SMILESC[C@@H](COc1ccc(F)c(F)c1)NCc1cccnc1
InChIInChI=1S/C15H16F2N2O/c1-11(19-9-12-3-2-6-18-8-12)10-20-13-4-5-14(16)15(17)7-13/h2-8,11,19H,9-10H2,1H3/t11-/m0/s1
InChIKeyBBGDAIKEIBRQLK-NSHDSACASA-N
MW278.30 g/mol
LogP2.92
Rot. Bonds6

About (2S)-1-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine

(2S)-1-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine (PubChem CID 97321622) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is (2S)-1-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine
PubChem CID97321622
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name(2S)-1-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine
SMILESC[C@@H](COc1ccc(F)c(F)c1)NCc1cccnc1
InChIInChI=1S/C15H16F2N2O/c1-11(19-9-12-3-2-6-18-8-12)10-20-13-4-5-14(16)15(17)7-13/h2-8,11,19H,9-10H2,1H3/t11-/m0/s1
InChIKeyBBGDAIKEIBRQLK-NSHDSACASA-N
XLogP2.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 61167930
N-[(3,4-difluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 61167924
1-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 54864314
1-(2-methoxyethoxy)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 115655378
(2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 104868129
N-[[3-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 63942324
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-pyridin-3-ylpropanamide
CID 111102845
(1S)-1-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 107720608
4-chloro-N-(pyridin-3-ylmethyl)butan-2-amine
CID 83187736
(2S,3S)-3-methyl-N-(pyridin-3-ylmethyl)pentan-2-amine
CID 28672035
(4S)-4-(pyridin-3-ylmethylamino)pentan-1-ol
CID 97051697
1-(5-fluoro-3-pyridinyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 103775385

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine?
The IUPAC name of (2S)-1-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine (CID 97321622) is (2S)-1-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine.
What is the SMILES notation for (2S)-1-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine?
The canonical SMILES for (2S)-1-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine is C[C@@H](COc1ccc(F)c(F)c1)NCc1cccnc1.
What is the InChIKey of (2S)-1-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine?
The InChIKey is BBGDAIKEIBRQLK-NSHDSACASA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-11(19-9-12-3-2-6-18-8-12)10-20-13-4-5-14(16)15(17)7-13/h2-8,11,19H,9-10H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-1-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine?
(2S)-1-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine has a molecular weight of 278.30 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 97321622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).