1-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)propan-2-amine

C15H16F2N2 — CID 54864314

IUPAC1-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)propan-2-amine
SMILESCC(Cc1c(F)cccc1F)NCc1cccnc1
InChIInChI=1S/C15H16F2N2/c1-11(19-10-12-4-3-7-18-9-12)8-13-14(16)5-2-6-15(13)17/h2-7,9,11,19H,8,10H2,1H3
InChIKeyXDIRBMHPKDWGMV-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.08
Rot. Bonds5

About 1-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)propan-2-amine

1-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)propan-2-amine (PubChem CID 54864314) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)propan-2-amine
PubChem CID54864314
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name1-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)propan-2-amine
SMILESCC(Cc1c(F)cccc1F)NCc1cccnc1
InChIInChI=1S/C15H16F2N2/c1-11(19-10-12-4-3-7-18-9-12)8-13-14(16)5-2-6-15(13)17/h2-7,9,11,19H,8,10H2,1H3
InChIKeyXDIRBMHPKDWGMV-UHFFFAOYSA-N
XLogP3.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 104868129
3-[[[(2S)-1-(2,6-difluorophenyl)propan-2-yl]amino]methyl]phenol
CID 93362092
4-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]phenol
CID 60943467
1-(2,6-difluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 114931955
4-chloro-N-(pyridin-3-ylmethyl)butan-2-amine
CID 83187736
1-(2,6-difluorophenyl)-N-(furan-3-ylmethyl)propan-2-amine
CID 63000728
N-[(2,6-difluorophenyl)methyl]-1-phenylpropan-2-amine
CID 63010379
3-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]benzonitrile
CID 60942834
N-[(4-bromo-3-fluorophenyl)methyl]-1-(2,6-difluorophenyl)propan-2-amine
CID 81432181
(2S)-1-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 97321622
(4S)-4-(pyridin-3-ylmethylamino)pentan-1-ol
CID 97051697
(1S)-N-[(2,6-difluorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 28654981

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)propan-2-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)propan-2-amine (CID 54864314) is 1-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)propan-2-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)propan-2-amine is CC(Cc1c(F)cccc1F)NCc1cccnc1.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)propan-2-amine?
The InChIKey is XDIRBMHPKDWGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-11(19-10-12-4-3-7-18-9-12)8-13-14(16)5-2-6-15(13)17/h2-7,9,11,19H,8,10H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)propan-2-amine?
1-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)propan-2-amine has a molecular weight of 262.30 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 54864314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).