1-(3-cyclopropylphenyl)-N-[(2,4-difluorophenyl)methyl]methanamine

C17H17F2N — CID 79979738

IUPAC1-(3-cyclopropylphenyl)-N-[(2,4-difluorophenyl)methyl]methanamine
SMILESFc1ccc(CNCc2cccc(C3CC3)c2)c(F)c1
InChIInChI=1S/C17H17F2N/c18-16-7-6-15(17(19)9-16)11-20-10-12-2-1-3-14(8-12)13-4-5-13/h1-3,6-9,13,20H,4-5,10-11H2
InChIKeyWRRPFKUNDQZHTI-UHFFFAOYSA-N
MW273.33 g/mol
LogP4.13
Rot. Bonds5

About 1-(3-cyclopropylphenyl)-N-[(2,4-difluorophenyl)methyl]methanamine

1-(3-cyclopropylphenyl)-N-[(2,4-difluorophenyl)methyl]methanamine (PubChem CID 79979738) has the molecular formula C17H17F2N and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-(3-cyclopropylphenyl)-N-[(2,4-difluorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-cyclopropylphenyl)-N-[(2,4-difluorophenyl)methyl]methanamine
PubChem CID79979738
Molecular FormulaC17H17F2N
Molecular Weight273.33 g/mol
Exact Mass273.13
IUPAC Name1-(3-cyclopropylphenyl)-N-[(2,4-difluorophenyl)methyl]methanamine
SMILESFc1ccc(CNCc2cccc(C3CC3)c2)c(F)c1
InChIInChI=1S/C17H17F2N/c18-16-7-6-15(17(19)9-16)11-20-10-12-2-1-3-14(8-12)13-4-5-13/h1-3,6-9,13,20H,4-5,10-11H2
InChIKeyWRRPFKUNDQZHTI-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-cyclopropylphenyl)methyl]-2,4-difluoroaniline
CID 79979330
3-[[(2,4-difluorophenyl)methylamino]methyl]aniline
CID 115211908
N-[(3-cyclopropylphenyl)methyl]-2,4,6-trifluoroaniline
CID 79983784
N-[(3-cyclopropylphenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 106899392
N'-[(3-cyclopropylphenyl)methyl]propane-1,3-diamine
CID 79979365
5-chloro-N-[(3-cyclopropylphenyl)methyl]-2-fluoroaniline
CID 79979636
1-(1,3-benzodioxol-5-yl)-N-[(2,4-difluorophenyl)methyl]methanamine
CID 9115190
N'-[(3-cyclopropylphenyl)methyl]butane-1,4-diamine
CID 79979439
N-[(2,5-difluorophenyl)methyl]-1-(3-methylphenyl)methanamine
CID 43312720
N-[[3-cyclopropyl-5-[[(4-fluorophenyl)methylamino]methyl]phenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 66616571
1-cyclobutyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79979705
1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine
CID 43317286

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylphenyl)-N-[(2,4-difluorophenyl)methyl]methanamine?
The IUPAC name of 1-(3-cyclopropylphenyl)-N-[(2,4-difluorophenyl)methyl]methanamine (CID 79979738) is 1-(3-cyclopropylphenyl)-N-[(2,4-difluorophenyl)methyl]methanamine.
What is the SMILES notation for 1-(3-cyclopropylphenyl)-N-[(2,4-difluorophenyl)methyl]methanamine?
The canonical SMILES for 1-(3-cyclopropylphenyl)-N-[(2,4-difluorophenyl)methyl]methanamine is Fc1ccc(CNCc2cccc(C3CC3)c2)c(F)c1.
What is the InChIKey of 1-(3-cyclopropylphenyl)-N-[(2,4-difluorophenyl)methyl]methanamine?
The InChIKey is WRRPFKUNDQZHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N/c18-16-7-6-15(17(19)9-16)11-20-10-12-2-1-3-14(8-12)13-4-5-13/h1-3,6-9,13,20H,4-5,10-11H2.
What are the key properties of 1-(3-cyclopropylphenyl)-N-[(2,4-difluorophenyl)methyl]methanamine?
1-(3-cyclopropylphenyl)-N-[(2,4-difluorophenyl)methyl]methanamine has a molecular weight of 273.33 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylphenyl)-N-[(2,4-difluorophenyl)methyl]methanamine is sourced from PubChem (CID 79979738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).