N-[(2,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine

C19H24FN — CID 81482203

IUPACN-[(2,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1C)c1cccc(C)c1F
InChIInChI=1S/C19H24FN/c1-5-11-21-19(16-10-9-13(2)12-15(16)4)17-8-6-7-14(3)18(17)20/h6-10,12,19,21H,5,11H2,1-4H3
InChIKeyJPYSBJSUKVMOEW-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.84
Rot. Bonds5

About N-[(2,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine

N-[(2,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine (PubChem CID 81482203) has the molecular formula C19H24FN and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
PubChem CID81482203
Molecular FormulaC19H24FN
Molecular Weight285.41 g/mol
Exact Mass285.19
IUPAC NameN-[(2,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1C)c1cccc(C)c1F
InChIInChI=1S/C19H24FN/c1-5-11-21-19(16-10-9-13(2)12-15(16)4)17-8-6-7-14(3)18(17)20/h6-10,12,19,21H,5,11H2,1-4H3
InChIKeyJPYSBJSUKVMOEW-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,3-difluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 63502673
N-[(3-bromo-2-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 106647623
N-[(2-chloro-5-fluorophenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 105397260
N-[(2-fluoro-3-methylphenyl)-phenylmethyl]propan-1-amine
CID 81477000
N-[(2-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81268580
N-[(2,4-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 79801999
N-[(2-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 106857492
N-[(3-chloro-4-methylphenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 107560858
N-[bis(2,3-difluorophenyl)methyl]propan-1-amine
CID 115862083
N-[(2-fluoro-3-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 81477002
N-[cyclohexen-1-yl-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 81477478
N-[(4-bromothiophen-3-yl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 105010839

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine (CID 81482203) is N-[(2,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(C)cc1C)c1cccc(C)c1F.
What is the InChIKey of N-[(2,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine?
The InChIKey is JPYSBJSUKVMOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN/c1-5-11-21-19(16-10-9-13(2)12-15(16)4)17-8-6-7-14(3)18(17)20/h6-10,12,19,21H,5,11H2,1-4H3.
What are the key properties of N-[(2,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine?
N-[(2,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine has a molecular weight of 285.41 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 81482203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).