N-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline

C17H20FNO — CID 115928990

IUPACN-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1NC(C)Cc1cccc(F)c1
InChIInChI=1S/C17H20FNO/c1-13(10-14-6-5-8-16(18)11-14)19-17-9-4-3-7-15(17)12-20-2/h3-9,11,13,19H,10,12H2,1-2H3
InChIKeyZBWNADOIHPZISQ-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.02
Rot. Bonds6

About N-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline

N-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline (PubChem CID 115928990) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline
PubChem CID115928990
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1NC(C)Cc1cccc(F)c1
InChIInChI=1S/C17H20FNO/c1-13(10-14-6-5-8-16(18)11-14)19-17-9-4-3-7-15(17)12-20-2/h3-9,11,13,19H,10,12H2,1-2H3
InChIKeyZBWNADOIHPZISQ-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline
CID 114828563
1-N-[1-(3-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 115921727
2-bromo-N-[1-(3-fluorophenyl)propan-2-yl]-4-methylaniline
CID 114827902
3-(difluoromethoxy)-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114828733
4-ethoxy-N-[1-(3-fluorophenyl)propan-2-yl]-2-methylaniline
CID 114829365
N-[1-(3-fluorophenyl)propan-2-yl]isoquinolin-5-amine
CID 114828587
N-[1-(3-fluorophenyl)propan-2-yl]-1-methoxybutan-2-amine
CID 115722358
N-(1-cyclopropylethyl)-2-(methoxymethyl)aniline
CID 43677996
N-[1-(4-ethylphenyl)ethyl]-2-(methoxymethyl)aniline
CID 43677953
4-tert-butyl-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114827952
4-[1-(3-fluorophenyl)propan-2-ylamino]-3-nitrophenol
CID 114829151
2-bromo-6-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 107598358

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline?
The IUPAC name of N-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline (CID 115928990) is N-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline.
What is the SMILES notation for N-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline?
The canonical SMILES for N-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline is COCc1ccccc1NC(C)Cc1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline?
The InChIKey is ZBWNADOIHPZISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-13(10-14-6-5-8-16(18)11-14)19-17-9-4-3-7-15(17)12-20-2/h3-9,11,13,19H,10,12H2,1-2H3.
What are the key properties of N-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline?
N-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline has a molecular weight of 273.35 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline is sourced from PubChem (CID 115928990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).