2-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline

C17H20FNO — CID 39372728

IUPAC2-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
SMILESCC(C)COc1ccc(CNc2ccccc2F)cc1
InChIInChI=1S/C17H20FNO/c1-13(2)12-20-15-9-7-14(8-10-15)11-19-17-6-4-3-5-16(17)18/h3-10,13,19H,11-12H2,1-2H3
InChIKeyXIKZOTBITKAONO-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.47
Rot. Bonds6

About 2-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline

2-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline (PubChem CID 39372728) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
PubChem CID39372728
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
SMILESCC(C)COc1ccc(CNc2ccccc2F)cc1
InChIInChI=1S/C17H20FNO/c1-13(2)12-20-15-9-7-14(8-10-15)11-19-17-6-4-3-5-16(17)18/h3-10,13,19H,11-12H2,1-2H3
InChIKeyXIKZOTBITKAONO-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 54798124
2,3-dimethyl-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 39384066
2-(2-ethoxyethoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 54801824
N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801301
N-[[4-(2-methylpropoxy)phenyl]methyl]-1-phenylmethanamine
CID 39369134
N-[(4-fluorophenyl)methyl]-1-[4-(2-methylpropoxy)phenyl]methanamine
CID 39389632
4-methoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 34884368
N-[[4-(2-methylpropoxy)phenyl]methyl]-4-propan-2-yloxyaniline
CID 39455797
2-fluoro-N-[(4-iodophenyl)methyl]aniline
CID 65477560
N-[[4-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801275
N-[[4-(2-methylpropoxy)phenyl]methyl]-3-propan-2-yloxyaniline
CID 54802906
2-fluoro-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]aniline
CID 113221978

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline?
The IUPAC name of 2-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline (CID 39372728) is 2-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline.
What is the SMILES notation for 2-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline?
The canonical SMILES for 2-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline is CC(C)COc1ccc(CNc2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline?
The InChIKey is XIKZOTBITKAONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-13(2)12-20-15-9-7-14(8-10-15)11-19-17-6-4-3-5-16(17)18/h3-10,13,19H,11-12H2,1-2H3.
What are the key properties of 2-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline?
2-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline has a molecular weight of 273.35 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline is sourced from PubChem (CID 39372728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).