N-[(3-cyclopropylphenyl)methyl]-2,4-difluoroaniline

C16H15F2N — CID 79979330

IUPACN-[(3-cyclopropylphenyl)methyl]-2,4-difluoroaniline
SMILESFc1ccc(NCc2cccc(C3CC3)c2)c(F)c1
InChIInChI=1S/C16H15F2N/c17-14-6-7-16(15(18)9-14)19-10-11-2-1-3-13(8-11)12-4-5-12/h1-3,6-9,12,19H,4-5,10H2
InChIKeyUGBXHXHOPMAGCQ-UHFFFAOYSA-N
MW259.30 g/mol
LogP4.45
Rot. Bonds4

About N-[(3-cyclopropylphenyl)methyl]-2,4-difluoroaniline

N-[(3-cyclopropylphenyl)methyl]-2,4-difluoroaniline (PubChem CID 79979330) has the molecular formula C16H15F2N and a molecular weight of 259.30 g/mol. Its IUPAC name is N-[(3-cyclopropylphenyl)methyl]-2,4-difluoroaniline.

Molecular Properties

Compound NameN-[(3-cyclopropylphenyl)methyl]-2,4-difluoroaniline
PubChem CID79979330
Molecular FormulaC16H15F2N
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC NameN-[(3-cyclopropylphenyl)methyl]-2,4-difluoroaniline
SMILESFc1ccc(NCc2cccc(C3CC3)c2)c(F)c1
InChIInChI=1S/C16H15F2N/c17-14-6-7-16(15(18)9-14)19-10-11-2-1-3-13(8-11)12-4-5-12/h1-3,6-9,12,19H,4-5,10H2
InChIKeyUGBXHXHOPMAGCQ-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-cyclopropylphenyl)methyl]-2,4,6-trifluoroaniline
CID 79983784
5-chloro-N-[(3-cyclopropylphenyl)methyl]-2-fluoroaniline
CID 79979636
1-(3-cyclopropylphenyl)-N-[(2,4-difluorophenyl)methyl]methanamine
CID 79979738
5-bromo-N-[(3-cyclopropylphenyl)methyl]-2-fluoroaniline
CID 79978991
4-chloro-N-[(3-cyclopropylphenyl)methyl]-2-methylaniline
CID 79979115
4-chloro-N-[(3-cyclopropylphenyl)methyl]-3-fluoroaniline
CID 79979141
4-bromo-2-chloro-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79979060
N-[(3-cyclopropylphenyl)methyl]-4-methylsulfanylaniline
CID 79979176
2,5-dichloro-N-[(3-cyclopropylphenyl)methyl]-4-methylaniline
CID 104725967
3,5-dichloro-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79978669
4-bromo-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79979328
N-[(3-cyclopropylphenyl)methyl]-4-ethoxy-2-methylaniline
CID 79970343

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylphenyl)methyl]-2,4-difluoroaniline?
The IUPAC name of N-[(3-cyclopropylphenyl)methyl]-2,4-difluoroaniline (CID 79979330) is N-[(3-cyclopropylphenyl)methyl]-2,4-difluoroaniline.
What is the SMILES notation for N-[(3-cyclopropylphenyl)methyl]-2,4-difluoroaniline?
The canonical SMILES for N-[(3-cyclopropylphenyl)methyl]-2,4-difluoroaniline is Fc1ccc(NCc2cccc(C3CC3)c2)c(F)c1.
What is the InChIKey of N-[(3-cyclopropylphenyl)methyl]-2,4-difluoroaniline?
The InChIKey is UGBXHXHOPMAGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N/c17-14-6-7-16(15(18)9-14)19-10-11-2-1-3-13(8-11)12-4-5-12/h1-3,6-9,12,19H,4-5,10H2.
What are the key properties of N-[(3-cyclopropylphenyl)methyl]-2,4-difluoroaniline?
N-[(3-cyclopropylphenyl)methyl]-2,4-difluoroaniline has a molecular weight of 259.30 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylphenyl)methyl]-2,4-difluoroaniline is sourced from PubChem (CID 79979330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).