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

C15H16F2N2 — CID 63990259

IUPACN-[(2,3-difluorophenyl)-pyridin-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccnc1)c1cccc(F)c1F
InChIInChI=1S/C15H16F2N2/c1-2-8-19-15(11-5-4-9-18-10-11)12-6-3-7-13(16)14(12)17/h3-7,9-10,15,19H,2,8H2,1H3
InChIKeyQUXUIXIVKQAIKH-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.45
Rot. Bonds5

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

N-[(2,3-difluorophenyl)-pyridin-3-ylmethyl]propan-1-amine (PubChem CID 63990259) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)-pyridin-3-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)-pyridin-3-ylmethyl]propan-1-amine
PubChem CID63990259
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC NameN-[(2,3-difluorophenyl)-pyridin-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccnc1)c1cccc(F)c1F
InChIInChI=1S/C15H16F2N2/c1-2-8-19-15(11-5-4-9-18-10-11)12-6-3-7-13(16)14(12)17/h3-7,9-10,15,19H,2,8H2,1H3
InChIKeyQUXUIXIVKQAIKH-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[bis(2,3-difluorophenyl)methyl]propan-1-amine
CID 115862083
N-[(2,3-difluorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 63990262
N-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 63988399
N-[(2,3-dichlorophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 62791362
N-[pyridin-3-yl(quinolin-8-yl)methyl]propan-1-amine
CID 81209832
N-[(2,3-difluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 105065627
N-[(2,3-difluorophenyl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine
CID 82733064
N-[(3-bromo-2-fluorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 106645324
N-[(2,3-difluorophenyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 63502473
N-[(2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 63085577
N-[(2,6-dimethyl-3-pyridinyl)-pyridin-3-ylmethyl]propan-1-amine
CID 105098192
N-[(2,3-difluorophenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 115861901

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)-pyridin-3-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2,3-difluorophenyl)-pyridin-3-ylmethyl]propan-1-amine (CID 63990259) is N-[(2,3-difluorophenyl)-pyridin-3-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)-pyridin-3-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)-pyridin-3-ylmethyl]propan-1-amine is CCCNC(c1cccnc1)c1cccc(F)c1F.
What is the InChIKey of N-[(2,3-difluorophenyl)-pyridin-3-ylmethyl]propan-1-amine?
The InChIKey is QUXUIXIVKQAIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-2-8-19-15(11-5-4-9-18-10-11)12-6-3-7-13(16)14(12)17/h3-7,9-10,15,19H,2,8H2,1H3.
What are the key properties of N-[(2,3-difluorophenyl)-pyridin-3-ylmethyl]propan-1-amine?
N-[(2,3-difluorophenyl)-pyridin-3-ylmethyl]propan-1-amine has a molecular weight of 262.30 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)-pyridin-3-ylmethyl]propan-1-amine is sourced from PubChem (CID 63990259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).