N-[(2,4-difluoro-5-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine

C17H20F2N2 — CID 105006297

IUPACN-[(2,4-difluoro-5-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cnccc1C)c1cc(C)c(F)cc1F
InChIInChI=1S/C17H20F2N2/c1-4-6-21-17(14-10-20-7-5-11(14)2)13-8-12(3)15(18)9-16(13)19/h5,7-10,17,21H,4,6H2,1-3H3
InChIKeyDCWRGMAISFZOKO-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.07
Rot. Bonds5

About N-[(2,4-difluoro-5-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine

N-[(2,4-difluoro-5-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine (PubChem CID 105006297) has the molecular formula C17H20F2N2 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[(2,4-difluoro-5-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,4-difluoro-5-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
PubChem CID105006297
Molecular FormulaC17H20F2N2
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[(2,4-difluoro-5-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cnccc1C)c1cc(C)c(F)cc1F
InChIInChI=1S/C17H20F2N2/c1-4-6-21-17(14-10-20-7-5-11(14)2)13-8-12(3)15(18)9-16(13)19/h5,7-10,17,21H,4,6H2,1-3H3
InChIKeyDCWRGMAISFZOKO-UHFFFAOYSA-N
XLogP4.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluoro-4-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 66270988
N-[(2,6-difluoro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878610
3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-4-amine
CID 114878589
N-[(4-methyl-3-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 66271195
N-[(5-chloro-2-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 105038130
N-[(3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878570
N-[(2-bromo-6-fluorophenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114887468
5-methyl-3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-2-amine
CID 114878633
N-[(2-fluoro-5-methylphenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 105065520
N-[(5-methylfuran-3-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105006407
N-[(3-methylfuran-2-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 104806165
N-[(4-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 115531140

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluoro-5-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,4-difluoro-5-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine (CID 105006297) is N-[(2,4-difluoro-5-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,4-difluoro-5-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,4-difluoro-5-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1cnccc1C)c1cc(C)c(F)cc1F.
What is the InChIKey of N-[(2,4-difluoro-5-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is DCWRGMAISFZOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2/c1-4-6-21-17(14-10-20-7-5-11(14)2)13-8-12(3)15(18)9-16(13)19/h5,7-10,17,21H,4,6H2,1-3H3.
What are the key properties of N-[(2,4-difluoro-5-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine?
N-[(2,4-difluoro-5-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 290.36 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluoro-5-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 105006297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).