N-[(2,3-difluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine

C18H21F2N — CID 63502673

IUPACN-[(2,3-difluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)ccc1C)c1cccc(F)c1F
InChIInChI=1S/C18H21F2N/c1-4-10-21-18(14-6-5-7-16(19)17(14)20)15-11-12(2)8-9-13(15)3/h5-9,11,18,21H,4,10H2,1-3H3
InChIKeyVYTSXWBUKXOQQT-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.67
Rot. Bonds5

About N-[(2,3-difluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine

N-[(2,3-difluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine (PubChem CID 63502673) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
PubChem CID63502673
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC NameN-[(2,3-difluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)ccc1C)c1cccc(F)c1F
InChIInChI=1S/C18H21F2N/c1-4-10-21-18(14-6-5-7-16(19)17(14)20)15-11-12(2)8-9-13(15)3/h5-9,11,18,21H,4,10H2,1-3H3
InChIKeyVYTSXWBUKXOQQT-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[bis(2,3-difluorophenyl)methyl]propan-1-amine
CID 115862083
N-[(2,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 81482203
N-[(2,3-difluorophenyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 63502473
N-[(2-bromo-5-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 115827956
N-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 63988399
N-[(2,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413548
N-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 64715289
N-[(2,3-difluorophenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 115861901
N-[(3-bromo-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 106645482
N-[(2-chloro-4-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 106857172
N-[(2-chloro-4-fluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496133
N-[(2-bromo-6-fluorophenyl)-(2,3-difluorophenyl)methyl]propan-1-amine
CID 114887381

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,3-difluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine (CID 63502673) is N-[(2,3-difluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine is CCCNC(c1cc(C)ccc1C)c1cccc(F)c1F.
What is the InChIKey of N-[(2,3-difluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine?
The InChIKey is VYTSXWBUKXOQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-4-10-21-18(14-6-5-7-16(19)17(14)20)15-11-12(2)8-9-13(15)3/h5-9,11,18,21H,4,10H2,1-3H3.
What are the key properties of N-[(2,3-difluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine?
N-[(2,3-difluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine has a molecular weight of 289.37 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 63502673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).