(1S)-1-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine

C16H18F2N2O — CID 97096345

IUPAC(1S)-1-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESCC[C@H](NCc1cccnc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H18F2N2O/c1-2-15(20-11-12-4-3-9-19-10-12)13-5-7-14(8-6-13)21-16(17)18/h3-10,15-16,20H,2,11H2,1H3/t15-/m0/s1
InChIKeyLEKLIHAZYSBIDE-HNNXBMFYSA-N
MW292.33 g/mol
LogP3.92
Rot. Bonds7

About (1S)-1-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine

(1S)-1-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine (PubChem CID 97096345) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is (1S)-1-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine
PubChem CID97096345
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name(1S)-1-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESCC[C@H](NCc1cccnc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H18F2N2O/c1-2-15(20-11-12-4-3-9-19-10-12)13-5-7-14(8-6-13)21-16(17)18/h3-10,15-16,20H,2,11H2,1H3/t15-/m0/s1
InChIKeyLEKLIHAZYSBIDE-HNNXBMFYSA-N
XLogP3.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 948867
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 36873297
1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-pyridin-3-ylethanamine
CID 105034670
1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)butan-1-amine
CID 43204940
1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 43280106
1-[4-(difluoromethoxy)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 75383153
1-(furan-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 62633957
(2S,3S)-3-methyl-N-(pyridin-3-ylmethyl)pentan-2-amine
CID 28672035
1-(4-ethylphenyl)-N-(2-pyridin-3-ylethyl)propan-1-amine
CID 60913064
3-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propanamide
CID 35556031
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-pyridin-3-ylacetamide
CID 111424709
4-[1-(2-pyridin-3-ylethylamino)propyl]phenol
CID 60893733

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine?
The IUPAC name of (1S)-1-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine (CID 97096345) is (1S)-1-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for (1S)-1-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine?
The canonical SMILES for (1S)-1-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine is CC[C@H](NCc1cccnc1)c1ccc(OC(F)F)cc1.
What is the InChIKey of (1S)-1-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine?
The InChIKey is LEKLIHAZYSBIDE-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c1-2-15(20-11-12-4-3-9-19-10-12)13-5-7-14(8-6-13)21-16(17)18/h3-10,15-16,20H,2,11H2,1H3/t15-/m0/s1.
What are the key properties of (1S)-1-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine?
(1S)-1-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine has a molecular weight of 292.33 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 97096345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).