N-[(5-fluoro-2-methylphenyl)methyl]-4-propoxyaniline

C17H20FNO — CID 105370985

IUPACN-[(5-fluoro-2-methylphenyl)methyl]-4-propoxyaniline
SMILESCCCOc1ccc(NCc2cc(F)ccc2C)cc1
InChIInChI=1S/C17H20FNO/c1-3-10-20-17-8-6-16(7-9-17)19-12-14-11-15(18)5-4-13(14)2/h4-9,11,19H,3,10,12H2,1-2H3
InChIKeyFPSMIPGXURMJOW-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.54
Rot. Bonds6

About N-[(5-fluoro-2-methylphenyl)methyl]-4-propoxyaniline

N-[(5-fluoro-2-methylphenyl)methyl]-4-propoxyaniline (PubChem CID 105370985) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)methyl]-4-propoxyaniline.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)methyl]-4-propoxyaniline
PubChem CID105370985
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-[(5-fluoro-2-methylphenyl)methyl]-4-propoxyaniline
SMILESCCCOc1ccc(NCc2cc(F)ccc2C)cc1
InChIInChI=1S/C17H20FNO/c1-3-10-20-17-8-6-16(7-9-17)19-12-14-11-15(18)5-4-13(14)2/h4-9,11,19H,3,10,12H2,1-2H3
InChIKeyFPSMIPGXURMJOW-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-4-propoxyaniline
CID 63645716
N-[(5-fluoro-2-methylphenyl)methyl]-4-propylaniline
CID 105370804
4-fluoro-N-[(4-propoxyphenyl)methyl]aniline
CID 40650179
N-[(2,4-dimethylphenyl)methyl]-4-propoxyaniline
CID 63476952
N-[(2-methoxy-5-methylphenyl)methyl]-4-propoxyaniline
CID 62327636
N-[(5-fluoro-2-methylphenyl)methyl]-4-methoxy-3-methylaniline
CID 115967998
N-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline
CID 54799087
4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517332
N-[(3-chloro-5-fluorophenyl)methyl]-4-propoxyaniline
CID 114452826
N-(4-fluorophenyl)-N'-(3-propoxyphenyl)ethane-1,2-diamine
CID 54805927
4-hexoxy-N-[(2-methylphenyl)methyl]aniline
CID 54798876
3-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-4-propoxyaniline
CID 63451154

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-4-propoxyaniline?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-4-propoxyaniline (CID 105370985) is N-[(5-fluoro-2-methylphenyl)methyl]-4-propoxyaniline.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)methyl]-4-propoxyaniline?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)methyl]-4-propoxyaniline is CCCOc1ccc(NCc2cc(F)ccc2C)cc1.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)methyl]-4-propoxyaniline?
The InChIKey is FPSMIPGXURMJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-10-20-17-8-6-16(7-9-17)19-12-14-11-15(18)5-4-13(14)2/h4-9,11,19H,3,10,12H2,1-2H3.
What are the key properties of N-[(5-fluoro-2-methylphenyl)methyl]-4-propoxyaniline?
N-[(5-fluoro-2-methylphenyl)methyl]-4-propoxyaniline has a molecular weight of 273.35 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylphenyl)methyl]-4-propoxyaniline is sourced from PubChem (CID 105370985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).