N-[(2,6-difluoro-3-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine

C17H20F2N2 — CID 105023117

IUPACN-[(2,6-difluoro-3-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(C)c1)c1c(F)ccc(C)c1F
InChIInChI=1S/C17H20F2N2/c1-4-7-21-17(13-8-11(2)9-20-10-13)15-14(18)6-5-12(3)16(15)19/h5-6,8-10,17,21H,4,7H2,1-3H3
InChIKeyGMJQLPPHBDMCIV-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.07
Rot. Bonds5

About N-[(2,6-difluoro-3-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine

N-[(2,6-difluoro-3-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine (PubChem CID 105023117) has the molecular formula C17H20F2N2 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[(2,6-difluoro-3-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,6-difluoro-3-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
PubChem CID105023117
Molecular FormulaC17H20F2N2
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[(2,6-difluoro-3-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(C)c1)c1c(F)ccc(C)c1F
InChIInChI=1S/C17H20F2N2/c1-4-7-21-17(13-8-11(2)9-20-10-13)15-14(18)6-5-12(3)16(15)19/h5-6,8-10,17,21H,4,7H2,1-3H3
InChIKeyGMJQLPPHBDMCIV-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-[(5-bromo-3-pyridinyl)-(2,6-difluoro-3-methylphenyl)methyl]propan-1-amine
CID 82802947
N-[(5-methyl-3-pyridinyl)-(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 115374405
N-[(2,6-difluoro-3-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine
CID 82797902
N-[(2,6-difluoro-3-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115854881
N-[(4-chloro-3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 107994731
N-[(3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374247
N-[(3-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374969
N-[(2,6-difluoro-3-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105025947
N-[(2,6-difluoro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878610
N-[(3-chloro-4-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105022789
N-[(2,6-difluoro-3-methylphenyl)-(3-iodophenyl)methyl]propan-1-amine
CID 105027074
N-[(2,6-difluoro-3-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 115796796

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluoro-3-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,6-difluoro-3-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine (CID 105023117) is N-[(2,6-difluoro-3-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,6-difluoro-3-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,6-difluoro-3-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1cncc(C)c1)c1c(F)ccc(C)c1F.
What is the InChIKey of N-[(2,6-difluoro-3-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is GMJQLPPHBDMCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2/c1-4-7-21-17(13-8-11(2)9-20-10-13)15-14(18)6-5-12(3)16(15)19/h5-6,8-10,17,21H,4,7H2,1-3H3.
What are the key properties of N-[(2,6-difluoro-3-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine?
N-[(2,6-difluoro-3-methylphenyl)-(5-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-[(2,6-difluoro-3-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 105023117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).