N-[(2-fluoro-4,6-dimethylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine

C18H23FN2 — CID 106883579

IUPACN-[(2-fluoro-4,6-dimethylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccnc(C)c1)c1c(C)cc(C)cc1F
InChIInChI=1S/C18H23FN2/c1-5-7-21-18(15-6-8-20-14(4)11-15)17-13(3)9-12(2)10-16(17)19/h6,8-11,18,21H,5,7H2,1-4H3
InChIKeyNLPJRWDTGQAUJA-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.23
Rot. Bonds5

About N-[(2-fluoro-4,6-dimethylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine

N-[(2-fluoro-4,6-dimethylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine (PubChem CID 106883579) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is N-[(2-fluoro-4,6-dimethylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-fluoro-4,6-dimethylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
PubChem CID106883579
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC NameN-[(2-fluoro-4,6-dimethylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccnc(C)c1)c1c(C)cc(C)cc1F
InChIInChI=1S/C18H23FN2/c1-5-7-21-18(15-6-8-20-14(4)11-15)17-13(3)9-12(2)10-16(17)19/h6,8-11,18,21H,5,7H2,1-4H3
InChIKeyNLPJRWDTGQAUJA-UHFFFAOYSA-N
XLogP4.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-fluoro-4,6-dimethylphenyl)-(2-methyl-4-pyridinyl)methyl]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-[(2-fluoro-4,6-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 106883993
N-[(4-chlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881255
N-[(2,4-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106755255
N-[(5-bromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881960
N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 106883539
N-[(4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106754926
N-[(5-bromofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106883535
N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 106881342
1-(2-methyl-4-pyridinyl)-N-propylpropan-1-amine
CID 106754843
N-[(2-methoxy-5-methylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106755261
N-[(2,3-difluoro-4-methylphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 107515944
2-methyl-1-(2-methyl-4-pyridinyl)-N-propylprop-2-en-1-amine
CID 106755556

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4,6-dimethylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-fluoro-4,6-dimethylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine (CID 106883579) is N-[(2-fluoro-4,6-dimethylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-fluoro-4,6-dimethylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-fluoro-4,6-dimethylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine is CCCNC(c1ccnc(C)c1)c1c(C)cc(C)cc1F.
What is the InChIKey of N-[(2-fluoro-4,6-dimethylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine?
The InChIKey is NLPJRWDTGQAUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-5-7-21-18(15-6-8-20-14(4)11-15)17-13(3)9-12(2)10-16(17)19/h6,8-11,18,21H,5,7H2,1-4H3.
What are the key properties of N-[(2-fluoro-4,6-dimethylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine?
N-[(2-fluoro-4,6-dimethylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine has a molecular weight of 286.39 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4,6-dimethylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 106883579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).