N-[(2,4-difluorophenyl)methyl]-1-(4-propylphenyl)ethanamine

C18H21F2N — CID 62049142

IUPACN-[(2,4-difluorophenyl)methyl]-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(C)NCc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H21F2N/c1-3-4-14-5-7-15(8-6-14)13(2)21-12-16-9-10-17(19)11-18(16)20/h5-11,13,21H,3-4,12H2,1-2H3
InChIKeyVLXPCCWMMXXMEA-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.77
Rot. Bonds6

About N-[(2,4-difluorophenyl)methyl]-1-(4-propylphenyl)ethanamine

N-[(2,4-difluorophenyl)methyl]-1-(4-propylphenyl)ethanamine (PubChem CID 62049142) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-(4-propylphenyl)ethanamine
PubChem CID62049142
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(C)NCc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H21F2N/c1-3-4-14-5-7-15(8-6-14)13(2)21-12-16-9-10-17(19)11-18(16)20/h5-11,13,21H,3-4,12H2,1-2H3
InChIKeyVLXPCCWMMXXMEA-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 62048772
N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221166
N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43221510
N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 106899436
(1S)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347202
2-(2,4-difluorophenyl)-1-(4-propylphenyl)ethanamine
CID 64559469
1-(2,4-difluorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 43221741
N-[(2,4-difluorophenyl)methyl]pentan-2-amine
CID 43177713
N-[(2,4-difluorophenyl)methyl]butan-2-amine
CID 43177291
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43078764
N-[(2-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 43191544
(1S)-1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 28649455

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(4-propylphenyl)ethanamine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(4-propylphenyl)ethanamine (CID 62049142) is N-[(2,4-difluorophenyl)methyl]-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-(4-propylphenyl)ethanamine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-(4-propylphenyl)ethanamine is CCCc1ccc(C(C)NCc2ccc(F)cc2F)cc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-(4-propylphenyl)ethanamine?
The InChIKey is VLXPCCWMMXXMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-3-4-14-5-7-15(8-6-14)13(2)21-12-16-9-10-17(19)11-18(16)20/h5-11,13,21H,3-4,12H2,1-2H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-(4-propylphenyl)ethanamine?
N-[(2,4-difluorophenyl)methyl]-1-(4-propylphenyl)ethanamine has a molecular weight of 289.37 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-(4-propylphenyl)ethanamine is sourced from PubChem (CID 62049142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).