N-[(2,6-difluoro-3-methylphenyl)-pyridin-2-ylmethyl]propan-1-amine

C16H18F2N2 — CID 82822208

IUPACN-[(2,6-difluoro-3-methylphenyl)-pyridin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccccn1)c1c(F)ccc(C)c1F
InChIInChI=1S/C16H18F2N2/c1-3-9-20-16(13-6-4-5-10-19-13)14-12(17)8-7-11(2)15(14)18/h4-8,10,16,20H,3,9H2,1-2H3
InChIKeyLKIRLLQYZFDEAC-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.76
Rot. Bonds5

About N-[(2,6-difluoro-3-methylphenyl)-pyridin-2-ylmethyl]propan-1-amine

N-[(2,6-difluoro-3-methylphenyl)-pyridin-2-ylmethyl]propan-1-amine (PubChem CID 82822208) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is N-[(2,6-difluoro-3-methylphenyl)-pyridin-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,6-difluoro-3-methylphenyl)-pyridin-2-ylmethyl]propan-1-amine
PubChem CID82822208
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC NameN-[(2,6-difluoro-3-methylphenyl)-pyridin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccccn1)c1c(F)ccc(C)c1F
InChIInChI=1S/C16H18F2N2/c1-3-9-20-16(13-6-4-5-10-19-13)14-12(17)8-7-11(2)15(14)18/h4-8,10,16,20H,3,9H2,1-2H3
InChIKeyLKIRLLQYZFDEAC-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,6-difluoro-3-methylphenyl)-pyridin-2-ylmethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[pyridin-2-yl-(2,3,4-trifluorophenyl)methyl]propan-1-amine
CID 62965809
N-[(2,6-difluoro-3-methylphenyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 82803166
N-[(2,6-difluoro-3-methylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine
CID 82822556
N-[(2,6-difluoro-3-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 82822460
N-[(2,3-dimethylphenyl)-pyridin-2-ylmethyl]propan-1-amine
CID 62548702
N-[(2,6-difluoro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878610
N-[(2,6-difluoro-3-methylphenyl)-(2-iodophenyl)methyl]propan-1-amine
CID 105027016
N-[(2,6-difluoro-3-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115854881
N-[(2,6-difluoro-3-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine
CID 82797902
N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 62802656
N-[(2,6-difluoro-3-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 82815308
N-(dipyridin-2-ylmethyl)pentan-1-amine
CID 123815817

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluoro-3-methylphenyl)-pyridin-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2,6-difluoro-3-methylphenyl)-pyridin-2-ylmethyl]propan-1-amine (CID 82822208) is N-[(2,6-difluoro-3-methylphenyl)-pyridin-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2,6-difluoro-3-methylphenyl)-pyridin-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2,6-difluoro-3-methylphenyl)-pyridin-2-ylmethyl]propan-1-amine is CCCNC(c1ccccn1)c1c(F)ccc(C)c1F.
What is the InChIKey of N-[(2,6-difluoro-3-methylphenyl)-pyridin-2-ylmethyl]propan-1-amine?
The InChIKey is LKIRLLQYZFDEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-3-9-20-16(13-6-4-5-10-19-13)14-12(17)8-7-11(2)15(14)18/h4-8,10,16,20H,3,9H2,1-2H3.
What are the key properties of N-[(2,6-difluoro-3-methylphenyl)-pyridin-2-ylmethyl]propan-1-amine?
N-[(2,6-difluoro-3-methylphenyl)-pyridin-2-ylmethyl]propan-1-amine has a molecular weight of 276.33 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluoro-3-methylphenyl)-pyridin-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 82822208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).