N-[(2,3-difluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine

C16H18F2N2O — CID 105065627

IUPACN-[(2,3-difluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccncc1OC)c1cccc(F)c1F
InChIInChI=1S/C16H18F2N2O/c1-3-8-20-16(11-7-9-19-10-14(11)21-2)12-5-4-6-13(17)15(12)18/h4-7,9-10,16,20H,3,8H2,1-2H3
InChIKeyIPZBPJUQBSJHJY-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.46
Rot. Bonds6

About N-[(2,3-difluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine

N-[(2,3-difluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine (PubChem CID 105065627) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine
PubChem CID105065627
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-[(2,3-difluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccncc1OC)c1cccc(F)c1F
InChIInChI=1S/C16H18F2N2O/c1-3-8-20-16(11-7-9-19-10-14(11)21-2)12-5-4-6-13(17)15(12)18/h4-7,9-10,16,20H,3,8H2,1-2H3
InChIKeyIPZBPJUQBSJHJY-UHFFFAOYSA-N
XLogP3.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[bis(2,3-difluorophenyl)methyl]propan-1-amine
CID 115862083
N-[(2-fluoro-5-methylphenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 105065520
N-[(3-fluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 105065219
N-[(2,3-difluorophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 63990259
N-[(2,3-difluorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 63990262
N-[(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 106645250
N-[(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106646023
N-[(2,3-difluorophenyl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
CID 103374736
N-[(3-methoxy-4-pyridinyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 105064351
N-[(2,6-difluoro-3-methylphenyl)-(3-methoxy-4-pyridinyl)methyl]ethanamine
CID 105065970
N-[(3-methoxy-4-pyridinyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 105064357
N-[1-(3-fluoro-4-pyridinyl)-2,2-dimethoxyethyl]propan-1-amine
CID 104738508

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,3-difluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine (CID 105065627) is N-[(2,3-difluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine is CCCNC(c1ccncc1OC)c1cccc(F)c1F.
What is the InChIKey of N-[(2,3-difluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine?
The InChIKey is IPZBPJUQBSJHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c1-3-8-20-16(11-7-9-19-10-14(11)21-2)12-5-4-6-13(17)15(12)18/h4-7,9-10,16,20H,3,8H2,1-2H3.
What are the key properties of N-[(2,3-difluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine?
N-[(2,3-difluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine has a molecular weight of 292.33 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 105065627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).