N-[(3-fluoro-4-methylphenyl)methyl]-2-propylaniline

C17H20FN — CID 63645034

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-2-propylaniline
SMILESCCCc1ccccc1NCc1ccc(C)c(F)c1
InChIInChI=1S/C17H20FN/c1-3-6-15-7-4-5-8-17(15)19-12-14-10-9-13(2)16(18)11-14/h4-5,7-11,19H,3,6,12H2,1-2H3
InChIKeyCCYULSYTGTVNGA-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.70
Rot. Bonds5

About N-[(3-fluoro-4-methylphenyl)methyl]-2-propylaniline

N-[(3-fluoro-4-methylphenyl)methyl]-2-propylaniline (PubChem CID 63645034) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-2-propylaniline.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-2-propylaniline
PubChem CID63645034
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-2-propylaniline
SMILESCCCc1ccccc1NCc1ccc(C)c(F)c1
InChIInChI=1S/C17H20FN/c1-3-6-15-7-4-5-8-17(15)19-12-14-10-9-13(2)16(18)11-14/h4-5,7-11,19H,3,6,12H2,1-2H3
InChIKeyCCYULSYTGTVNGA-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 55244992
N-[(3-methylphenyl)methyl]-2-propylaniline
CID 43432338
1-N-[(3-fluoro-4-methylphenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 55226677
2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]-6-methylaniline
CID 63646546
N-[[4-(dimethylamino)phenyl]methyl]-2-propylaniline
CID 43687256
2-ethyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63052031
N-[(4-fluoro-3-methylphenyl)methyl]-2-(methoxymethyl)aniline
CID 62121796
2,6-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63644666
2-fluoro-4-[[2-(2-methoxyethyl)anilino]methyl]phenol
CID 107686073
4-chloro-2-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645041
2,3,5-trifluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645876
N-(2-fluoroethyl)-2-propylaniline
CID 80695673

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-propylaniline?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-propylaniline (CID 63645034) is N-[(3-fluoro-4-methylphenyl)methyl]-2-propylaniline.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-2-propylaniline?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-2-propylaniline is CCCc1ccccc1NCc1ccc(C)c(F)c1.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-2-propylaniline?
The InChIKey is CCYULSYTGTVNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-3-6-15-7-4-5-8-17(15)19-12-14-10-9-13(2)16(18)11-14/h4-5,7-11,19H,3,6,12H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-2-propylaniline?
N-[(3-fluoro-4-methylphenyl)methyl]-2-propylaniline has a molecular weight of 257.35 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-2-propylaniline is sourced from PubChem (CID 63645034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).