[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-pyridin-3-ylmethanamine

C17H18F2N2O2 — CID 68521776

IUPAC[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-pyridin-3-ylmethanamine
SMILESNC(c1cccnc1)c1ccc(OC(F)F)c(OCC2CC2)c1
InChIInChI=1S/C17H18F2N2O2/c18-17(19)23-14-6-5-12(8-15(14)22-10-11-3-4-11)16(20)13-2-1-7-21-9-13/h1-2,5-9,11,16-17H,3-4,10,20H2
InChIKeySGODTYHBEGSDTN-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.52
Rot. Bonds7

About [3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-pyridin-3-ylmethanamine

[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-pyridin-3-ylmethanamine (PubChem CID 68521776) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is [3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-pyridin-3-ylmethanamine
PubChem CID68521776
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-pyridin-3-ylmethanamine
SMILESNC(c1cccnc1)c1ccc(OC(F)F)c(OCC2CC2)c1
InChIInChI=1S/C17H18F2N2O2/c18-17(19)23-14-6-5-12(8-15(14)22-10-11-3-4-11)16(20)13-2-1-7-21-9-13/h1-2,5-9,11,16-17H,3-4,10,20H2
InChIKeySGODTYHBEGSDTN-UHFFFAOYSA-N
XLogP3.52
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(difluoromethoxy)-3-ethoxyphenyl]-pyridin-3-ylmethanamine
CID 68547360
1-[4-(cyclopropylmethoxy)-3-(difluoromethoxy)phenyl]ethanamine
CID 126963402
2-(cyclopropylmethoxy)-1-(difluoromethoxy)-4-hexan-3-ylbenzene
CID 174834345
(1S)-2-(3-chloro-4-pyridinyl)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethanol
CID 129109350
[5-chlorooxy-4-[(2S)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-pyridinyl] hypochlorite
CID 134323952
3,5-dichloro-4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]propyl]pyridine
CID 71201853
1-(cyclopropylmethoxy)-2-(difluoromethoxy)benzene
CID 54215709
[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichlorooxy-4-pyridinyl)ethyl] 2-acetyloxy-2-phenylacetate
CID 67539393
N'-[cyano-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl]oxamide
CID 54255513
[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloropyridin-1-ium-4-yl)ethyl] 4-[(pyridin-3-ylamino)methyl]benzoate
CID 140642750
[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrimidin-5-ylmethanamine
CID 68522251
[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethyl] 5-(pyridin-3-ylmethylamino)thiophene-2-carboxylate
CID 121461946

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-pyridin-3-ylmethanamine?
The IUPAC name of [3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-pyridin-3-ylmethanamine (CID 68521776) is [3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-pyridin-3-ylmethanamine.
What is the SMILES notation for [3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-pyridin-3-ylmethanamine?
The canonical SMILES for [3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-pyridin-3-ylmethanamine is NC(c1cccnc1)c1ccc(OC(F)F)c(OCC2CC2)c1.
What is the InChIKey of [3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-pyridin-3-ylmethanamine?
The InChIKey is SGODTYHBEGSDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c18-17(19)23-14-6-5-12(8-15(14)22-10-11-3-4-11)16(20)13-2-1-7-21-9-13/h1-2,5-9,11,16-17H,3-4,10,20H2.
What are the key properties of [3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-pyridin-3-ylmethanamine?
[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-pyridin-3-ylmethanamine has a molecular weight of 320.34 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-pyridin-3-ylmethanamine is sourced from PubChem (CID 68521776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).