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

C17H20FNO — CID 114828563

IUPACN-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1NC(C)Cc1ccccc1F
InChIInChI=1S/C17H20FNO/c1-13(11-14-7-3-5-9-16(14)18)19-17-10-6-4-8-15(17)12-20-2/h3-10,13,19H,11-12H2,1-2H3
InChIKeyNQWIHHDDQYRBDJ-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.02
Rot. Bonds6

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

N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline (PubChem CID 114828563) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline
PubChem CID114828563
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1NC(C)Cc1ccccc1F
InChIInChI=1S/C17H20FNO/c1-13(11-14-7-3-5-9-16(14)18)19-17-10-6-4-8-15(17)12-20-2/h3-10,13,19H,11-12H2,1-2H3
InChIKeyNQWIHHDDQYRBDJ-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

3-bromo-N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline
CID 114829477
N-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline
CID 115928990
2-tert-butyl-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828604
2,5-difluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828016
N-[1-(2-fluorophenyl)propan-2-yl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine
CID 114828808
4-(difluoromethoxy)-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828280
4-bromo-2,3-dichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 107787388
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(methoxymethyl)aniline
CID 83069691
N-(1-cyclopropylethyl)-2-(methoxymethyl)aniline
CID 43677996
2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline
CID 114830872
N-[1-(2-fluorophenyl)propan-2-yl]-4-propan-2-yloxyaniline
CID 114828418
2,6-dichloro-4-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114830625

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline?
The IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline (CID 114828563) is N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline.
What is the SMILES notation for N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline?
The canonical SMILES for N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline is COCc1ccccc1NC(C)Cc1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline?
The InChIKey is NQWIHHDDQYRBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-13(11-14-7-3-5-9-16(14)18)19-17-10-6-4-8-15(17)12-20-2/h3-10,13,19H,11-12H2,1-2H3.
What are the key properties of N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline?
N-[1-(2-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-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline is sourced from PubChem (CID 114828563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).